3-[(4-cyclopropylphenyl)methylamino]-2-methylpropanenitrile

C14H18N2 — CID 79983921

IUPAC3-[(4-cyclopropylphenyl)methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CNCc1ccc(C2CC2)cc1
InChIInChI=1S/C14H18N2/c1-11(8-15)9-16-10-12-2-4-13(5-3-12)14-6-7-14/h2-5,11,14,16H,6-7,9-10H2,1H3
InChIKeyLVDCTKPZDDOTJO-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.81
Rot. Bonds5

About 3-[(4-cyclopropylphenyl)methylamino]-2-methylpropanenitrile

3-[(4-cyclopropylphenyl)methylamino]-2-methylpropanenitrile (PubChem CID 79983921) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 3-[(4-cyclopropylphenyl)methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[(4-cyclopropylphenyl)methylamino]-2-methylpropanenitrile
PubChem CID79983921
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name3-[(4-cyclopropylphenyl)methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CNCc1ccc(C2CC2)cc1
InChIInChI=1S/C14H18N2/c1-11(8-15)9-16-10-12-2-4-13(5-3-12)14-6-7-14/h2-5,11,14,16H,6-7,9-10H2,1H3
InChIKeyLVDCTKPZDDOTJO-UHFFFAOYSA-N
XLogP2.81
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(4-cyclopropylphenyl)methyl]-2-methylpropan-1-amine
CID 79979534
3-[(4-fluorophenyl)methylamino]-2-methylpropanenitrile
CID 43242616
N-[4-[(2-cyanopropylamino)methyl]phenyl]acetamide
CID 55101214
2-methyl-3-[(4-phenylcyclohexyl)amino]propanenitrile
CID 62647435
2-methyl-3-[(4-morpholin-4-ylphenyl)methylamino]propanenitrile
CID 55101596
N-[(4-cyclopropylphenyl)methyl]propan-2-amine
CID 62491335
1-[(4-cyclopropylphenyl)methylamino]-4,4-dimethylpentan-2-ol
CID 107151387
1-cyclopropyl-N-[(4-cyclopropylphenyl)methyl]ethanamine
CID 79979277
3-[(4-methoxy-3-methylphenyl)methylamino]-2-methylpropanenitrile
CID 62646735
N-[(4-cyclopropylphenyl)methyl]-7-methyloctan-1-amine
CID 79978978
2-methyl-3-(pyridin-3-ylmethylamino)propanenitrile
CID 43242702
3-[[3-(hydroxymethyl)phenyl]methylamino]-2-methylpropanenitrile
CID 107230612

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopropylphenyl)methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[(4-cyclopropylphenyl)methylamino]-2-methylpropanenitrile (CID 79983921) is 3-[(4-cyclopropylphenyl)methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[(4-cyclopropylphenyl)methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[(4-cyclopropylphenyl)methylamino]-2-methylpropanenitrile is CC(C#N)CNCc1ccc(C2CC2)cc1.
What is the InChIKey of 3-[(4-cyclopropylphenyl)methylamino]-2-methylpropanenitrile?
The InChIKey is LVDCTKPZDDOTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-11(8-15)9-16-10-12-2-4-13(5-3-12)14-6-7-14/h2-5,11,14,16H,6-7,9-10H2,1H3.
What are the key properties of 3-[(4-cyclopropylphenyl)methylamino]-2-methylpropanenitrile?
3-[(4-cyclopropylphenyl)methylamino]-2-methylpropanenitrile has a molecular weight of 214.31 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropylphenyl)methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 79983921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).