3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile

C18H27N3 — CID 63955665

IUPAC3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(CN(CC)CC1CC1)c1ccccc1
InChIInChI=1S/C18H27N3/c1-3-12-20-18(14-19,17-8-6-5-7-9-17)15-21(4-2)13-16-10-11-16/h5-9,16,20H,3-4,10-13,15H2,1-2H3
InChIKeyQYKKWNOGVKJMTG-UHFFFAOYSA-N
MW285.44 g/mol
LogP3.14
Rot. Bonds9

About 3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile

3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile (PubChem CID 63955665) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile.

Molecular Properties

Compound Name3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile
PubChem CID63955665
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile
SMILESCCCNC(C#N)(CN(CC)CC1CC1)c1ccccc1
InChIInChI=1S/C18H27N3/c1-3-12-20-18(14-19,17-8-6-5-7-9-17)15-21(4-2)13-16-10-11-16/h5-9,16,20H,3-4,10-13,15H2,1-2H3
InChIKeyQYKKWNOGVKJMTG-UHFFFAOYSA-N
XLogP3.14
TPSA39.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[cyclopropylmethyl(ethyl)amino]-2-(ethylamino)-2-phenylpropanenitrile
CID 63955663
3-(2-cyclopropylethoxy)-2-phenyl-2-(propylamino)propanenitrile
CID 106204090
1-[cyclopropylmethyl(ethyl)amino]-2-phenylpropan-2-ol
CID 63956044
3-[methyl(oxolan-3-yl)amino]-2-phenyl-2-(propylamino)propanenitrile
CID 82730933
N-(cyclopropylmethyl)-N-ethyl-2-methyl-2-phenyl-N'-propylpropane-1,3-diamine
CID 63954461
3-(cyclopentylmethylsulfanyl)-2-phenyl-2-(propylamino)propanenitrile
CID 63120186
4-[ethyl(methyl)amino]-2-phenyl-2-(propylamino)butanenitrile
CID 116692371
3-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-phenylpropanoic acid
CID 63939484
4-[cyclopropylmethyl(ethyl)amino]-2-methyl-2-(propylamino)butanenitrile
CID 63955060
4-[methyl(propan-2-yl)amino]-2-phenyl-2-(propylamino)butanenitrile
CID 116692325
3-(2-methyloxolan-3-yl)sulfanyl-2-phenyl-2-(propylamino)propanenitrile
CID 107754803
N'-(cyclopropylmethyl)-N'-ethyl-1-phenyl-N-propylethane-1,2-diamine
CID 63955974

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile?
The IUPAC name of 3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile (CID 63955665) is 3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile.
What is the SMILES notation for 3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile?
The canonical SMILES for 3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile is CCCNC(C#N)(CN(CC)CC1CC1)c1ccccc1.
What is the InChIKey of 3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile?
The InChIKey is QYKKWNOGVKJMTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-3-12-20-18(14-19,17-8-6-5-7-9-17)15-21(4-2)13-16-10-11-16/h5-9,16,20H,3-4,10-13,15H2,1-2H3.
What are the key properties of 3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile?
3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile has a molecular weight of 285.44 g/mol, XLogP of 3.14, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropylmethyl(ethyl)amino]-2-phenyl-2-(propylamino)propanenitrile is sourced from PubChem (CID 63955665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).