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Chemical ID: 6382689
Chemical ID:
6382689
Name [?]:
N-(1-cyclohex-3-enylmethyl)-1-phenyl-methanamine
SMILES [?]:
c1ccc(cc1)CNCC2CCC=CC2
InChi [?]:
InChI=1/C14H19N/c1-3-7-13(8-4-1)11-15-12-14-9-5-2-6-10-14/h1-5,7-8,14-15H,6,9-12H2
InChi Info:
AuxInfo=1/0/N:1,13,2,6,14,12,3,5,15,11,7,9,4,10,8/E:(3,4)(7,8)/rA:15cCCCCCCCNCCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;s11;s12;d13;s10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H19N |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.04641 |
Area: | 406.027 |
Solvation: | -1.10427 |
Coulombic: | -12.3487 |
Bond Count [?]
All: | 16 |
Single: | 12 |
Double: | 4 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 201.307 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.46 |
LogP (Chemaxon): | 3.21 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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