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Chemical ID: 5832878
Chemical ID:
5832878
Name [?]:
N-methyl-N-(2-phenylpropyl)butan-1-amine
SMILES [?]:
CCCCN(C)CC(C)c1ccccc1
InChi [?]:
InChI=1/C14H23N/c1-4-5-11-15(3)12-13(2)14-9-7-6-8-10-14/h6-10,13H,4-5,11-12H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,9,6,2,3,13,12,14,11,15,4,7,8,10,5/E:(7,8)(9,10)/rA:15cCCCCNCCCCCCCCCC/rB:s1;s2;s3;s4;s5;s5;s7;s8;s8;s10;d11;s12;d13;d10s14;/rC:;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H23N |
All Atoms: | 15 |
Heavy Atoms: | 15 |
Chiral Atoms: | 2 |
ZAP Information [?]
Total: | 9.42108 |
Area: | 424.242 |
Solvation: | -1.18497 |
Coulombic: | -7.86854 |
Bond Count [?]
All: | 15 |
Single: | 12 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 205.339 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.57 |
LogP (Chemaxon): | 3.8 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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