3-(4-methylpentan-2-ylamino)-2-phenylpropanenitrile

C15H22N2 — CID 64535813

IUPAC3-(4-methylpentan-2-ylamino)-2-phenylpropanenitrile
SMILESCC(C)CC(C)NCC(C#N)c1ccccc1
InChIInChI=1S/C15H22N2/c1-12(2)9-13(3)17-11-15(10-16)14-7-5-4-6-8-14/h4-8,12-13,15,17H,9,11H2,1-3H3
InChIKeyKRHKGZNRQIQZLJ-UHFFFAOYSA-N
MW230.36 g/mol
LogP3.32
Rot. Bonds6

About 3-(4-methylpentan-2-ylamino)-2-phenylpropanenitrile

3-(4-methylpentan-2-ylamino)-2-phenylpropanenitrile (PubChem CID 64535813) has the molecular formula C15H22N2 and a molecular weight of 230.36 g/mol. Its IUPAC name is 3-(4-methylpentan-2-ylamino)-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-(4-methylpentan-2-ylamino)-2-phenylpropanenitrile
PubChem CID64535813
Molecular FormulaC15H22N2
Molecular Weight230.36 g/mol
Exact Mass230.18
IUPAC Name3-(4-methylpentan-2-ylamino)-2-phenylpropanenitrile
SMILESCC(C)CC(C)NCC(C#N)c1ccccc1
InChIInChI=1S/C15H22N2/c1-12(2)9-13(3)17-11-15(10-16)14-7-5-4-6-8-14/h4-8,12-13,15,17H,9,11H2,1-3H3
InChIKeyKRHKGZNRQIQZLJ-UHFFFAOYSA-N
XLogP3.32
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.36
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(4-methoxybutan-2-ylamino)-2-phenylpropanenitrile
CID 64605677
3-(1,3-dihydroxypropan-2-ylamino)-2-phenylpropanenitrile
CID 65313203
3-(3-methylbutylamino)-2-phenylpropanenitrile
CID 64533176
2-phenyl-3-(1-pyridin-4-ylethylamino)propanenitrile
CID 64536611
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-phenylpropanenitrile
CID 64538244
3-[[(1S)-1-(4-methoxyphenyl)ethyl]amino]-2-phenylpropanenitrile
CID 81368483
3-[[(1S)-1-(3-fluorophenyl)ethyl]amino]-2-phenylpropanenitrile
CID 81365300
3-(tert-butylamino)-2-phenylpropanenitrile
CID 64536204
3-[[(1R)-1-(3-methoxyphenyl)ethyl]amino]-2-phenylpropanenitrile
CID 81355239
3-[2-[di(propan-2-yl)amino]ethylamino]-2-phenylpropanenitrile
CID 64535404
ethane;2-phenylbutanenitrile
CID 91343198
(2S)-2-(benzhydrylamino)-4-methylpentanenitrile
CID 135070081

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpentan-2-ylamino)-2-phenylpropanenitrile?
The IUPAC name of 3-(4-methylpentan-2-ylamino)-2-phenylpropanenitrile (CID 64535813) is 3-(4-methylpentan-2-ylamino)-2-phenylpropanenitrile.
What is the SMILES notation for 3-(4-methylpentan-2-ylamino)-2-phenylpropanenitrile?
The canonical SMILES for 3-(4-methylpentan-2-ylamino)-2-phenylpropanenitrile is CC(C)CC(C)NCC(C#N)c1ccccc1.
What is the InChIKey of 3-(4-methylpentan-2-ylamino)-2-phenylpropanenitrile?
The InChIKey is KRHKGZNRQIQZLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2/c1-12(2)9-13(3)17-11-15(10-16)14-7-5-4-6-8-14/h4-8,12-13,15,17H,9,11H2,1-3H3.
What are the key properties of 3-(4-methylpentan-2-ylamino)-2-phenylpropanenitrile?
3-(4-methylpentan-2-ylamino)-2-phenylpropanenitrile has a molecular weight of 230.36 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpentan-2-ylamino)-2-phenylpropanenitrile is sourced from PubChem (CID 64535813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).