2-amino-2-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile

C14H22N4 — CID 64696510

IUPAC2-amino-2-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile
SMILESCC(CC(C)(N)C#N)N(C)CCc1ccccn1
InChIInChI=1S/C14H22N4/c1-12(10-14(2,16)11-15)18(3)9-7-13-6-4-5-8-17-13/h4-6,8,12H,7,9-10,16H2,1-3H3
InChIKeyAESCRZYVIWJSIB-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.58
Rot. Bonds6

About 2-amino-2-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile

2-amino-2-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile (PubChem CID 64696510) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-amino-2-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile.

Molecular Properties

Compound Name2-amino-2-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile
PubChem CID64696510
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-amino-2-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile
SMILESCC(CC(C)(N)C#N)N(C)CCc1ccccn1
InChIInChI=1S/C14H22N4/c1-12(10-14(2,16)11-15)18(3)9-7-13-6-4-5-8-17-13/h4-6,8,12H,7,9-10,16H2,1-3H3
InChIKeyAESCRZYVIWJSIB-UHFFFAOYSA-N
XLogP1.58
TPSA65.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[methyl(2-pyridin-2-ylethyl)amino]butanethioamide
CID 60915227
ethane;N-methyl-N-(2-pyridin-2-ylethyl)propan-2-amine
CID 142585406
2-N-methyl-1-N-(2-methylpropyl)-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 62417470
2-N-methyl-2-N-(2-pyridin-2-ylethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 62557484
1-N-(3-methoxypropyl)-2-N-methyl-2-N-(2-pyridin-2-ylethyl)propane-1,2-diamine
CID 62557319
3-ethyl-2-N-methyl-2-N-(2-pyridin-2-ylethyl)pentane-1,2-diamine
CID 43187234
3-methyl-2-[methyl(2-pyridin-2-ylethyl)amino]butan-1-ol
CID 115137806
1-cyano-N-methyl-N-(2-pyridin-2-ylethyl)methanesulfonamide
CID 60677937
3,3-dimethyl-4-[methyl(2-pyridin-2-ylethyl)amino]butan-2-ol
CID 66454768
3-[propan-2-yl(2-pyridin-2-ylethyl)amino]propanenitrile
CID 55207213
2-(ethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]butanenitrile
CID 63027499
2-[methyl(2-pyridin-2-ylethyl)amino]-1-phenylpropan-1-one
CID 43228048

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile?
The IUPAC name of 2-amino-2-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile (CID 64696510) is 2-amino-2-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile.
What is the SMILES notation for 2-amino-2-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile?
The canonical SMILES for 2-amino-2-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile is CC(CC(C)(N)C#N)N(C)CCc1ccccn1.
What is the InChIKey of 2-amino-2-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile?
The InChIKey is AESCRZYVIWJSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-12(10-14(2,16)11-15)18(3)9-7-13-6-4-5-8-17-13/h4-6,8,12H,7,9-10,16H2,1-3H3.
What are the key properties of 2-amino-2-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile?
2-amino-2-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile has a molecular weight of 246.36 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-methyl-4-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile is sourced from PubChem (CID 64696510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).