3-[5-(diethylamino)pentan-2-ylamino]-3-phenylpropanenitrile

C18H29N3 — CID 62780546

IUPAC3-[5-(diethylamino)pentan-2-ylamino]-3-phenylpropanenitrile
SMILESCCN(CC)CCCC(C)NC(CC#N)c1ccccc1
InChIInChI=1S/C18H29N3/c1-4-21(5-2)15-9-10-16(3)20-18(13-14-19)17-11-7-6-8-12-17/h6-8,11-12,16,18,20H,4-5,9-10,13,15H2,1-3H3
InChIKeyPMQDHLFHQXCMHY-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.74
Rot. Bonds10

About 3-[5-(diethylamino)pentan-2-ylamino]-3-phenylpropanenitrile

3-[5-(diethylamino)pentan-2-ylamino]-3-phenylpropanenitrile (PubChem CID 62780546) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 3-[5-(diethylamino)pentan-2-ylamino]-3-phenylpropanenitrile.

Molecular Properties

Compound Name3-[5-(diethylamino)pentan-2-ylamino]-3-phenylpropanenitrile
PubChem CID62780546
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name3-[5-(diethylamino)pentan-2-ylamino]-3-phenylpropanenitrile
SMILESCCN(CC)CCCC(C)NC(CC#N)c1ccccc1
InChIInChI=1S/C18H29N3/c1-4-21(5-2)15-9-10-16(3)20-18(13-14-19)17-11-7-6-8-12-17/h6-8,11-12,16,18,20H,4-5,9-10,13,15H2,1-3H3
InChIKeyPMQDHLFHQXCMHY-UHFFFAOYSA-N
XLogP3.74
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(1-phenylpropylamino)butanenitrile
CID 62306250
1-N,1-N-diethyl-4-N-[1-(4-fluorophenyl)ethyl]pentane-1,4-diamine
CID 43178400
3-[(3-methyl-2-propan-2-ylbutyl)amino]-3-phenylpropanenitrile
CID 102905343
3-[[(1R)-1-(4-fluorophenyl)ethyl]amino]-3-phenylpropanenitrile
CID 81347485
2-[[5-(diethylamino)pentan-2-ylamino]methyl]benzonitrile
CID 43179853
N-chloro-N',N'-diethyl-1-phenylpropane-1,3-diamine
CID 23557495
N-(1-phenylpentyl)octan-2-amine
CID 43791089
3-(2-methylbutylamino)-3-phenylpropanenitrile
CID 62778386
(2R)-2-(heptan-2-ylamino)-2-phenylethanol
CID 103788664
1-N,1-N-diethyl-4-N-(1-thiophen-2-ylethyl)pentane-1,4-diamine
CID 43193468
1-N,1-N-diethyl-4-N-[1-(3-methoxyphenyl)ethyl]pentane-1,4-diamine
CID 43193479
3-amino-N-[5-(diethylamino)pentan-2-yl]-3-phenylpropanamide
CID 119952645

Frequently Asked Questions

What is the IUPAC name of 3-[5-(diethylamino)pentan-2-ylamino]-3-phenylpropanenitrile?
The IUPAC name of 3-[5-(diethylamino)pentan-2-ylamino]-3-phenylpropanenitrile (CID 62780546) is 3-[5-(diethylamino)pentan-2-ylamino]-3-phenylpropanenitrile.
What is the SMILES notation for 3-[5-(diethylamino)pentan-2-ylamino]-3-phenylpropanenitrile?
The canonical SMILES for 3-[5-(diethylamino)pentan-2-ylamino]-3-phenylpropanenitrile is CCN(CC)CCCC(C)NC(CC#N)c1ccccc1.
What is the InChIKey of 3-[5-(diethylamino)pentan-2-ylamino]-3-phenylpropanenitrile?
The InChIKey is PMQDHLFHQXCMHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-4-21(5-2)15-9-10-16(3)20-18(13-14-19)17-11-7-6-8-12-17/h6-8,11-12,16,18,20H,4-5,9-10,13,15H2,1-3H3.
What are the key properties of 3-[5-(diethylamino)pentan-2-ylamino]-3-phenylpropanenitrile?
3-[5-(diethylamino)pentan-2-ylamino]-3-phenylpropanenitrile has a molecular weight of 287.45 g/mol, XLogP of 3.74, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(diethylamino)pentan-2-ylamino]-3-phenylpropanenitrile is sourced from PubChem (CID 62780546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).