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Chemical ID: 7113693
Chemical ID:
7113693
Name [?]:
N-[(4-methoxyphenyl)methyl]quinuclidin-3-amine
SMILES [?]:
COc1ccc(cc1)CNC2CN3CCC2CC3
InChi [?]:
InChI=1/C15H22N2O/c1-18-14-4-2-12(3-5-14)10-16-15-11-17-8-6-13(15)7-9-17/h2-5,13,15-16H,6-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,5,7,4,8,15,17,14,18,9,12,6,16,3,11,10,13,2/E:(2,3)(4,5)(6,7)(8,9)/rA:18cCOCCCCCCCNCCNCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;s11;s12;s13;s14;s11s15;s16;s13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H22N2O |
All Atoms: | 40 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.08033 |
Area: | 437.142 |
Solvation: | -2.84822 |
Coulombic: | -21.5226 |
Bond Count [?]
All: | 20 |
Single: | 17 |
Double: | 3 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 4 |
Chemical Properties
Molecular Weight: | 246.348 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 3 |
XLogP: | 1.87 |
LogP (Chemaxon): | 1.61 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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