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Chemical ID: 4964811
Chemical ID:
4964811
Name [?]:
N-(1-phenylpropyl)butan-1-amine
SMILES [?]:
CCCCNC(CC)c1ccccc1
InChi [?]:
InChI=1/C13H21N/c1-3-5-11-14-13(4-2)12-9-7-6-8-10-12/h6-10,13-14H,3-5,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,8,2,7,3,12,11,13,10,14,4,9,6,5/E:(7,8)(9,10)/rA:14cCCCCNCCCCCCCCC/rB:s1;s2;s3;s4;s5;s6;s7;s6;s9;d10;s11;d12;d9s13;/rC:;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H21N |
All Atoms: | 14 |
Heavy Atoms: | 14 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 9.39159 |
Area: | 408.557 |
Solvation: | -0.822323 |
Coulombic: | -12.1731 |
Bond Count [?]
All: | 14 |
Single: | 11 |
Double: | 3 |
Rotors: | 6 |
Chiral: | 0 |
Rigid Segments: | 5 |
Chemical Properties
Molecular Weight: | 191.313 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 1 |
XLogP: | 3.77 |
LogP (Chemaxon): | 3.66 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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