2-(benzylamino)-2-cyclopropylbutanenitrile

C14H18N2 — CID 64918670

IUPAC2-(benzylamino)-2-cyclopropylbutanenitrile
SMILESCCC(C#N)(NCc1ccccc1)C1CC1
InChIInChI=1S/C14H18N2/c1-2-14(11-15,13-8-9-13)16-10-12-6-4-3-5-7-12/h3-7,13,16H,2,8-10H2,1H3
InChIKeyNZGGQOGMELBZOO-UHFFFAOYSA-N
MW214.31 g/mol
LogP2.86
Rot. Bonds5

About 2-(benzylamino)-2-cyclopropylbutanenitrile

2-(benzylamino)-2-cyclopropylbutanenitrile (PubChem CID 64918670) has the molecular formula C14H18N2 and a molecular weight of 214.31 g/mol. Its IUPAC name is 2-(benzylamino)-2-cyclopropylbutanenitrile.

Molecular Properties

Compound Name2-(benzylamino)-2-cyclopropylbutanenitrile
PubChem CID64918670
Molecular FormulaC14H18N2
Molecular Weight214.31 g/mol
Exact Mass214.15
IUPAC Name2-(benzylamino)-2-cyclopropylbutanenitrile
SMILESCCC(C#N)(NCc1ccccc1)C1CC1
InChIInChI=1S/C14H18N2/c1-2-14(11-15,13-8-9-13)16-10-12-6-4-3-5-7-12/h3-7,13,16H,2,8-10H2,1H3
InChIKeyNZGGQOGMELBZOO-UHFFFAOYSA-N
XLogP2.86
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 ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-benzylsulfanyl-2-cyclopropyl-2-(ethylamino)propanenitrile
CID 63905527
2-(benzylamino)-2-cyclopentylpropanenitrile
CID 55096722
2-(benzylamino)-2-phenylbutanenitrile
CID 101459494
2-(benzylamino)-2-pyrrolidin-3-ylpropanenitrile
CID 130856941
2-N-benzyl-2-cyclobutylbutane-1,2-diamine
CID 130697657
N-benzyl-2-cyclopentylpropan-2-amine
CID 115868314
2-(benzylamino)-2,3-dimethylpentanenitrile
CID 61006364
2-(benzylamino)-3-hydroxy-2-methylpropanenitrile
CID 130509146
2-cyclopropyl-3-(2-methoxyphenoxy)-2-(propylamino)propanenitrile
CID 63906303
2-cyclopropyl-2-(ethylamino)-3-[(3-methylphenyl)methylsulfanyl]propanenitrile
CID 63905591
2-cyclopropyl-3-(2,6-dimethoxyphenoxy)-2-(ethylamino)propanenitrile
CID 63908192
2-cyclopropyl-3-(2,3-dihydroindol-1-yl)-2-(ethylamino)propanenitrile
CID 63913717

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2-cyclopropylbutanenitrile?
The IUPAC name of 2-(benzylamino)-2-cyclopropylbutanenitrile (CID 64918670) is 2-(benzylamino)-2-cyclopropylbutanenitrile.
What is the SMILES notation for 2-(benzylamino)-2-cyclopropylbutanenitrile?
The canonical SMILES for 2-(benzylamino)-2-cyclopropylbutanenitrile is CCC(C#N)(NCc1ccccc1)C1CC1.
What is the InChIKey of 2-(benzylamino)-2-cyclopropylbutanenitrile?
The InChIKey is NZGGQOGMELBZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2/c1-2-14(11-15,13-8-9-13)16-10-12-6-4-3-5-7-12/h3-7,13,16H,2,8-10H2,1H3.
What are the key properties of 2-(benzylamino)-2-cyclopropylbutanenitrile?
2-(benzylamino)-2-cyclopropylbutanenitrile has a molecular weight of 214.31 g/mol, XLogP of 2.86, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2-cyclopropylbutanenitrile is sourced from PubChem (CID 64918670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).