3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile

C14H20N2 — CID 64538564

IUPAC3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile
SMILESCCC(C)N(C)CC(C#N)c1ccccc1
InChIInChI=1S/C14H20N2/c1-4-12(2)16(3)11-14(10-15)13-8-6-5-7-9-13/h5-9,12,14H,4,11H2,1-3H3
InChIKeyCLOLVVDCTIWCGX-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.02
Rot. Bonds5

About 3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile

3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile (PubChem CID 64538564) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile.

Molecular Properties

Compound Name3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile
PubChem CID64538564
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile
SMILESCCC(C)N(C)CC(C#N)c1ccccc1
InChIInChI=1S/C14H20N2/c1-4-12(2)16(3)11-14(10-15)13-8-6-5-7-9-13/h5-9,12,14H,4,11H2,1-3H3
InChIKeyCLOLVVDCTIWCGX-UHFFFAOYSA-N
XLogP3.02
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-phenylbutanenitrile
CID 91343198
2-phenyl-3-[propan-2-yl(propyl)amino]propanenitrile
CID 64538362
3-[2-(dimethylamino)ethyl-propylamino]-2-phenylpropanenitrile
CID 64536346
3-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]-2-phenylpropanenitrile
CID 64538576
3-(N,4-dimethylanilino)-2-phenylpropanenitrile
CID 64536950
1-ethylsulfonylethane;2-phenylbutanenitrile
CID 174853089
3-(dimethylamino)-2-(4-propan-2-ylphenyl)propanenitrile
CID 82078866
3-[butyl(2-hydroxyethyl)amino]-2-phenylpropanenitrile
CID 64537660
3-(2-methoxy-N-methylanilino)-2-phenylpropanenitrile
CID 64536348
3-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-2-phenylpropanenitrile
CID 64538244
3-[furan-3-ylmethyl(methyl)amino]-2-phenylpropanenitrile
CID 64536146
2-[(2-cyano-2-phenylethyl)-propan-2-ylamino]acetamide
CID 64536746

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile?
The IUPAC name of 3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile (CID 64538564) is 3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile.
What is the SMILES notation for 3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile?
The canonical SMILES for 3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile is CCC(C)N(C)CC(C#N)c1ccccc1.
What is the InChIKey of 3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile?
The InChIKey is CLOLVVDCTIWCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-4-12(2)16(3)11-14(10-15)13-8-6-5-7-9-13/h5-9,12,14H,4,11H2,1-3H3.
What are the key properties of 3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile?
3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile has a molecular weight of 216.33 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(methyl)amino]-2-phenylpropanenitrile is sourced from PubChem (CID 64538564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).