3-[1-(4-ethylphenyl)propylamino]pentanenitrile

C16H24N2 — CID 62648007

IUPAC3-[1-(4-ethylphenyl)propylamino]pentanenitrile
SMILESCCc1ccc(C(CC)NC(CC)CC#N)cc1
InChIInChI=1S/C16H24N2/c1-4-13-7-9-14(10-8-13)16(6-3)18-15(5-2)11-12-17/h7-10,15-16,18H,4-6,11H2,1-3H3
InChIKeySNJNAOWOFQEIPV-UHFFFAOYSA-N
MW244.38 g/mol
LogP3.98
Rot. Bonds7

About 3-[1-(4-ethylphenyl)propylamino]pentanenitrile

3-[1-(4-ethylphenyl)propylamino]pentanenitrile (PubChem CID 62648007) has the molecular formula C16H24N2 and a molecular weight of 244.38 g/mol. Its IUPAC name is 3-[1-(4-ethylphenyl)propylamino]pentanenitrile.

Molecular Properties

Compound Name3-[1-(4-ethylphenyl)propylamino]pentanenitrile
PubChem CID62648007
Molecular FormulaC16H24N2
Molecular Weight244.38 g/mol
Exact Mass244.19
IUPAC Name3-[1-(4-ethylphenyl)propylamino]pentanenitrile
SMILESCCc1ccc(C(CC)NC(CC)CC#N)cc1
InChIInChI=1S/C16H24N2/c1-4-13-7-9-14(10-8-13)16(6-3)18-15(5-2)11-12-17/h7-10,15-16,18H,4-6,11H2,1-3H3
InChIKeySNJNAOWOFQEIPV-UHFFFAOYSA-N
XLogP3.98
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.38
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[1-(4-ethylphenyl)propylamino]butan-1-ol
CID 104980386
N-[1-(4-ethylphenyl)propyl]butan-2-amine
CID 43309866
3-[1-(4-butylphenyl)ethylamino]pentanenitrile
CID 62648001
(3S)-3-amino-3-(4-ethylphenyl)propanenitrile
CID 95435347
3-[[(1R)-1-(4-bromophenyl)ethyl]amino]pentanenitrile
CID 81360191
3-[[4-(difluoromethyl)phenyl]methylamino]pentanenitrile
CID 113328347
3-[1-(4-hydroxyphenyl)propan-2-ylamino]pentanenitrile
CID 113322888
3-[1-(4-fluorophenyl)propan-2-ylamino]pentanenitrile
CID 55142071
3-(1-phenylpropylamino)butanenitrile
CID 62306250
N-[(1S)-1-(4-chlorophenyl)ethyl]-1-(4-ethylphenyl)propan-1-amine
CID 81350091
3-[1-[4-(difluoromethoxy)phenyl]ethylamino]pentanenitrile
CID 62646051
3-[1-(4-ethylphenyl)propylamino]benzonitrile
CID 43309948

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-ethylphenyl)propylamino]pentanenitrile?
The IUPAC name of 3-[1-(4-ethylphenyl)propylamino]pentanenitrile (CID 62648007) is 3-[1-(4-ethylphenyl)propylamino]pentanenitrile.
What is the SMILES notation for 3-[1-(4-ethylphenyl)propylamino]pentanenitrile?
The canonical SMILES for 3-[1-(4-ethylphenyl)propylamino]pentanenitrile is CCc1ccc(C(CC)NC(CC)CC#N)cc1.
What is the InChIKey of 3-[1-(4-ethylphenyl)propylamino]pentanenitrile?
The InChIKey is SNJNAOWOFQEIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2/c1-4-13-7-9-14(10-8-13)16(6-3)18-15(5-2)11-12-17/h7-10,15-16,18H,4-6,11H2,1-3H3.
What are the key properties of 3-[1-(4-ethylphenyl)propylamino]pentanenitrile?
3-[1-(4-ethylphenyl)propylamino]pentanenitrile has a molecular weight of 244.38 g/mol, XLogP of 3.98, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-ethylphenyl)propylamino]pentanenitrile is sourced from PubChem (CID 62648007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).