2-(benzylamino)-2,3-dimethylpentanenitrile

C14H20N2 — CID 61006364

IUPAC2-(benzylamino)-2,3-dimethylpentanenitrile
SMILESCCC(C)C(C)(C#N)NCc1ccccc1
InChIInChI=1S/C14H20N2/c1-4-12(2)14(3,11-15)16-10-13-8-6-5-7-9-13/h5-9,12,16H,4,10H2,1-3H3
InChIKeyIBKYRFDPAIINFL-UHFFFAOYSA-N
MW216.33 g/mol
LogP3.10
Rot. Bonds5

About 2-(benzylamino)-2,3-dimethylpentanenitrile

2-(benzylamino)-2,3-dimethylpentanenitrile (PubChem CID 61006364) has the molecular formula C14H20N2 and a molecular weight of 216.33 g/mol. Its IUPAC name is 2-(benzylamino)-2,3-dimethylpentanenitrile.

Molecular Properties

Compound Name2-(benzylamino)-2,3-dimethylpentanenitrile
PubChem CID61006364
Molecular FormulaC14H20N2
Molecular Weight216.33 g/mol
Exact Mass216.16
IUPAC Name2-(benzylamino)-2,3-dimethylpentanenitrile
SMILESCCC(C)C(C)(C#N)NCc1ccccc1
InChIInChI=1S/C14H20N2/c1-4-12(2)14(3,11-15)16-10-13-8-6-5-7-9-13/h5-9,12,16H,4,10H2,1-3H3
InChIKeyIBKYRFDPAIINFL-UHFFFAOYSA-N
XLogP3.10
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-dimethyl-2-(2-methylanilino)pentanenitrile
CID 60990449
2-(benzylamino)-3-hydroxy-2-methylpropanenitrile
CID 130509146
2-(2-hydroxyethylamino)-2,3-dimethylpentanenitrile
CID 62586061
2-(benzylamino)-2-phenylbutanenitrile
CID 101459494
2-(2-methoxyanilino)-2,3-dimethylpentanenitrile
CID 54887592
2-(benzylamino)-2-cyclopentylpropanenitrile
CID 55096722
2,3-dimethyl-2-(propan-2-ylamino)pentanenitrile
CID 60915967
2-(benzylamino)-3,3-dimethylbutanenitrile
CID 10679630
2-(benzylamino)-2-cyclopropylbutanenitrile
CID 64918670
2-[2-(diethylamino)ethylamino]-2,3-dimethylpentanenitrile
CID 61005954
(2R)-2-(benzylamino)propanenitrile
CID 28702462
2-(benzylamino)-2-pyrrolidin-3-ylpropanenitrile
CID 130856941

Frequently Asked Questions

What is the IUPAC name of 2-(benzylamino)-2,3-dimethylpentanenitrile?
The IUPAC name of 2-(benzylamino)-2,3-dimethylpentanenitrile (CID 61006364) is 2-(benzylamino)-2,3-dimethylpentanenitrile.
What is the SMILES notation for 2-(benzylamino)-2,3-dimethylpentanenitrile?
The canonical SMILES for 2-(benzylamino)-2,3-dimethylpentanenitrile is CCC(C)C(C)(C#N)NCc1ccccc1.
What is the InChIKey of 2-(benzylamino)-2,3-dimethylpentanenitrile?
The InChIKey is IBKYRFDPAIINFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2/c1-4-12(2)14(3,11-15)16-10-13-8-6-5-7-9-13/h5-9,12,16H,4,10H2,1-3H3.
What are the key properties of 2-(benzylamino)-2,3-dimethylpentanenitrile?
2-(benzylamino)-2,3-dimethylpentanenitrile has a molecular weight of 216.33 g/mol, XLogP of 3.10, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzylamino)-2,3-dimethylpentanenitrile is sourced from PubChem (CID 61006364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).