2-benzyl-2-(ethylamino)butanenitrile

C13H18N2 — CID 79008092

IUPAC2-benzyl-2-(ethylamino)butanenitrile
SMILESCCNC(C#N)(CC)Cc1ccccc1
InChIInChI=1S/C13H18N2/c1-3-13(11-14,15-4-2)10-12-8-6-5-7-9-12/h5-9,15H,3-4,10H2,1-2H3
InChIKeyMRQHOTCSMVXDHZ-UHFFFAOYSA-N
MW202.30 g/mol
LogP2.51
Rot. Bonds5

About 2-benzyl-2-(ethylamino)butanenitrile

2-benzyl-2-(ethylamino)butanenitrile (PubChem CID 79008092) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 2-benzyl-2-(ethylamino)butanenitrile.

Molecular Properties

Compound Name2-benzyl-2-(ethylamino)butanenitrile
PubChem CID79008092
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name2-benzyl-2-(ethylamino)butanenitrile
SMILESCCNC(C#N)(CC)Cc1ccccc1
InChIInChI=1S/C13H18N2/c1-3-13(11-14,15-4-2)10-12-8-6-5-7-9-12/h5-9,15H,3-4,10H2,1-2H3
InChIKeyMRQHOTCSMVXDHZ-UHFFFAOYSA-N
XLogP2.51
TPSA35.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-benzyl-2-(2,2,2-trifluoroethylamino)butanenitrile
CID 79008436
2-benzyl-2-(prop-2-enylamino)butanenitrile
CID 79008569
2-(3-azidopropylamino)-2-benzylbutanenitrile
CID 79027129
2-benzyl-2-(3-methylanilino)butanenitrile
CID 79008566
2-benzyl-2-methylbutanenitrile
CID 65377862
(2R)-2-benzyl-2-hydroxybutanenitrile
CID 124564557
2-benzyl-3,3,3-trifluoro-2-methylpropanenitrile
CID 122229682
azane;2,2-dimethylbutylbenzene
CID 175285583
2-ethyl-2-(ethylamino)-5-(N-ethyl-2-methylanilino)pentanenitrile
CID 106802768
2,2-diethyl-4-phenylbutanenitrile
CID 82138721
2-(benzylamino)-2-phenylbutanenitrile
CID 101459494
2-benzyl-2-(ethylamino)-3-phenylpropanoic acid
CID 43753784

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-2-(ethylamino)butanenitrile?
The IUPAC name of 2-benzyl-2-(ethylamino)butanenitrile (CID 79008092) is 2-benzyl-2-(ethylamino)butanenitrile.
What is the SMILES notation for 2-benzyl-2-(ethylamino)butanenitrile?
The canonical SMILES for 2-benzyl-2-(ethylamino)butanenitrile is CCNC(C#N)(CC)Cc1ccccc1.
What is the InChIKey of 2-benzyl-2-(ethylamino)butanenitrile?
The InChIKey is MRQHOTCSMVXDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-13(11-14,15-4-2)10-12-8-6-5-7-9-12/h5-9,15H,3-4,10H2,1-2H3.
What are the key properties of 2-benzyl-2-(ethylamino)butanenitrile?
2-benzyl-2-(ethylamino)butanenitrile has a molecular weight of 202.30 g/mol, XLogP of 2.51, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-2-(ethylamino)butanenitrile is sourced from PubChem (CID 79008092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).