(2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile

C13H18N2 — CID 39161374

IUPAC(2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile
SMILESCCN(Cc1ccccc1)C[C@@H](C)C#N
InChIInChI=1S/C13H18N2/c1-3-15(10-12(2)9-14)11-13-7-5-4-6-8-13/h4-8,12H,3,10-11H2,1-2H3/t12-/m0/s1
InChIKeyYSSOSSFVDDNUIZ-LBPRGKRZSA-N
MW202.30 g/mol
LogP2.67
Rot. Bonds5

About (2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile

(2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile (PubChem CID 39161374) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile.

Molecular Properties

Compound Name(2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile
PubChem CID39161374
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name(2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile
SMILESCCN(Cc1ccccc1)C[C@@H](C)C#N
InChIInChI=1S/C13H18N2/c1-3-15(10-12(2)9-14)11-13-7-5-4-6-8-13/h4-8,12H,3,10-11H2,1-2H3/t12-/m0/s1
InChIKeyYSSOSSFVDDNUIZ-LBPRGKRZSA-N
XLogP2.67
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[2-aminoethyl(benzyl)amino]-2-methylpropanenitrile
CID 106511629
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile
CID 61225285
N-benzyl-2-[[(2R)-2-cyanopropyl]-ethylamino]-N-methylacetamide
CID 52747596
4-[[[(2R)-2-cyanopropyl]-ethylamino]methyl]-N-phenylbenzamide
CID 51967572
2-[benzyl(propyl)amino]-N-(2-cyanopropyl)-N-ethylacetamide
CID 87013152
2-[(dibenzylamino)methyl]-3-methylbutanenitrile
CID 131059101
3-[ethyl(furan-2-ylmethyl)amino]-2-methylpropanenitrile
CID 61423405
3-[(3,4-dimethoxyphenyl)methyl-ethylamino]-2-methylpropanenitrile
CID 54943422
3-[(3-chloro-4-fluorophenyl)methyl-ethylamino]-2-methylpropanenitrile
CID 103885131
N-benzyl-N-ethylethanamine;ethene
CID 174895763
N-benzyl-N-ethylethanamine;methanethiol
CID 142975470
N'-benzyl-N'-ethyl-1-phenylethane-1,2-diamine
CID 43126115

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile?
The IUPAC name of (2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile (CID 39161374) is (2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile.
What is the SMILES notation for (2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile?
The canonical SMILES for (2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile is CCN(Cc1ccccc1)C[C@@H](C)C#N.
What is the InChIKey of (2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile?
The InChIKey is YSSOSSFVDDNUIZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H18N2/c1-3-15(10-12(2)9-14)11-13-7-5-4-6-8-13/h4-8,12H,3,10-11H2,1-2H3/t12-/m0/s1.
What are the key properties of (2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile?
(2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile has a molecular weight of 202.30 g/mol, XLogP of 2.67, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[benzyl(ethyl)amino]-2-methylpropanenitrile is sourced from PubChem (CID 39161374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).