2-(butan-2-ylamino)-2-(3-methylphenyl)acetonitrile

C13H18N2 — CID 61023744

IUPAC2-(butan-2-ylamino)-2-(3-methylphenyl)acetonitrile
SMILESCCC(C)NC(C#N)c1cccc(C)c1
InChIInChI=1S/C13H18N2/c1-4-11(3)15-13(9-14)12-7-5-6-10(2)8-12/h5-8,11,13,15H,4H2,1-3H3
InChIKeyZUEPXRFDEGENGY-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.95
Rot. Bonds4

About 2-(butan-2-ylamino)-2-(3-methylphenyl)acetonitrile

2-(butan-2-ylamino)-2-(3-methylphenyl)acetonitrile (PubChem CID 61023744) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-(butan-2-ylamino)-2-(3-methylphenyl)acetonitrile.

Molecular Properties

Compound Name2-(butan-2-ylamino)-2-(3-methylphenyl)acetonitrile
PubChem CID61023744
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-(butan-2-ylamino)-2-(3-methylphenyl)acetonitrile
SMILESCCC(C)NC(C#N)c1cccc(C)c1
InChIInChI=1S/C13H18N2/c1-4-11(3)15-13(9-14)12-7-5-6-10(2)8-12/h5-8,11,13,15H,4H2,1-3H3
InChIKeyZUEPXRFDEGENGY-UHFFFAOYSA-N
XLogP2.95
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(butan-2-ylamino)-2-(3-propan-2-yloxyphenyl)acetonitrile
CID 61210762
2-(butan-2-ylamino)-2-(3-fluoro-4-methylphenyl)acetonitrile
CID 63648620
2-(butan-2-ylamino)-2-(2,6-dichlorophenyl)acetonitrile
CID 61023871
2,2-bis(3-methylphenyl)acetonitrile
CID 71128021
(3S)-3-(3-methylphenyl)butanenitrile
CID 102340136
2-(3-methylphenyl)-2-(pyridin-2-ylmethylamino)acetonitrile
CID 82019722
(2S)-2-hydroxy-2-(3-methylphenyl)acetonitrile
CID 12717592
2-bromo-2-(3-methylphenyl)acetonitrile
CID 58786600
2-(butan-2-ylamino)-2-(5-chloro-2-fluorophenyl)acetonitrile
CID 114843576
3-[1-[[(1S)-1-(3-methylphenyl)ethyl]amino]ethyl]benzonitrile
CID 81364071
3-(3-methylphenyl)pentanedinitrile
CID 20546281
4-methyl-3-(3-methylphenyl)pentanenitrile
CID 83684447

Frequently Asked Questions

What is the IUPAC name of 2-(butan-2-ylamino)-2-(3-methylphenyl)acetonitrile?
The IUPAC name of 2-(butan-2-ylamino)-2-(3-methylphenyl)acetonitrile (CID 61023744) is 2-(butan-2-ylamino)-2-(3-methylphenyl)acetonitrile.
What is the SMILES notation for 2-(butan-2-ylamino)-2-(3-methylphenyl)acetonitrile?
The canonical SMILES for 2-(butan-2-ylamino)-2-(3-methylphenyl)acetonitrile is CCC(C)NC(C#N)c1cccc(C)c1.
What is the InChIKey of 2-(butan-2-ylamino)-2-(3-methylphenyl)acetonitrile?
The InChIKey is ZUEPXRFDEGENGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-4-11(3)15-13(9-14)12-7-5-6-10(2)8-12/h5-8,11,13,15H,4H2,1-3H3.
What are the key properties of 2-(butan-2-ylamino)-2-(3-methylphenyl)acetonitrile?
2-(butan-2-ylamino)-2-(3-methylphenyl)acetonitrile has a molecular weight of 202.30 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butan-2-ylamino)-2-(3-methylphenyl)acetonitrile is sourced from PubChem (CID 61023744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).