2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanenitrile

C13H20N4 — CID 63029274

IUPAC2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanenitrile
SMILESCNC(C#N)CCN(C)CCc1ccncc1
InChIInChI=1S/C13H20N4/c1-15-13(11-14)6-10-17(2)9-5-12-3-7-16-8-4-12/h3-4,7-8,13,15H,5-6,9-10H2,1-2H3
InChIKeyFMLGEPVISXKKFH-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.06
Rot. Bonds7

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

2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanenitrile (PubChem CID 63029274) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanenitrile.

Molecular Properties

Compound Name2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanenitrile
PubChem CID63029274
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanenitrile
SMILESCNC(C#N)CCN(C)CCc1ccncc1
InChIInChI=1S/C13H20N4/c1-15-13(11-14)6-10-17(2)9-5-12-3-7-16-8-4-12/h3-4,7-8,13,15H,5-6,9-10H2,1-2H3
InChIKeyFMLGEPVISXKKFH-UHFFFAOYSA-N
XLogP1.06
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl(2-pyridin-4-ylethyl)amino]acetonitrile
CID 22688898
2-amino-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
CID 64825859
3,3-diethoxy-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 63629114
N-(2-bromoethyl)-N-methyl-2-pyridin-4-ylethanamine
CID 61286935
2-methyl-2-[methyl(2-pyridin-4-ylethyl)amino]propanenitrile
CID 82282650
3-chloro-N-methyl-N-(2-pyridin-4-ylethyl)propan-1-amine
CID 61286728
N-tert-butyl-N'-methyl-N'-(2-pyridin-4-ylethyl)ethane-1,2-diamine
CID 61387145
1-(4-chlorophenyl)-N'-methyl-N'-(2-pyridin-4-ylethyl)propane-1,3-diamine
CID 62644490
2-(ethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]butanenitrile
CID 63027499
2-methyl-2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butan-1-ol
CID 64826060
N-methyl-1,5-dipyridin-4-ylpentan-3-amine
CID 11253852
N-(3-cyanophenyl)-3-[methyl(2-pyridin-4-ylethyl)amino]propanamide
CID 109026283

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanenitrile?
The IUPAC name of 2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanenitrile (CID 63029274) is 2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanenitrile.
What is the SMILES notation for 2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanenitrile?
The canonical SMILES for 2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanenitrile is CNC(C#N)CCN(C)CCc1ccncc1.
What is the InChIKey of 2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanenitrile?
The InChIKey is FMLGEPVISXKKFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-15-13(11-14)6-10-17(2)9-5-12-3-7-16-8-4-12/h3-4,7-8,13,15H,5-6,9-10H2,1-2H3.
What are the key properties of 2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanenitrile?
2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanenitrile has a molecular weight of 232.33 g/mol, XLogP of 1.06, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-4-[methyl(2-pyridin-4-ylethyl)amino]butanenitrile is sourced from PubChem (CID 63029274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).