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

C14H22N4 — CID 63027499

IUPAC2-(ethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]butanenitrile
SMILESCCNC(C#N)CCN(C)CCc1ccccn1
InChIInChI=1S/C14H22N4/c1-3-16-14(12-15)8-11-18(2)10-7-13-6-4-5-9-17-13/h4-6,9,14,16H,3,7-8,10-11H2,1-2H3
InChIKeyQNIBTZIHWROEBP-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.45
Rot. Bonds8

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

2-(ethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]butanenitrile (PubChem CID 63027499) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-(ethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]butanenitrile.

Molecular Properties

Compound Name2-(ethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]butanenitrile
PubChem CID63027499
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-(ethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]butanenitrile
SMILESCCNC(C#N)CCN(C)CCc1ccccn1
InChIInChI=1S/C14H22N4/c1-3-16-14(12-15)8-11-18(2)10-7-13-6-4-5-9-17-13/h4-6,9,14,16H,3,7-8,10-11H2,1-2H3
InChIKeyQNIBTZIHWROEBP-UHFFFAOYSA-N
XLogP1.45
TPSA51.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-N-ethyl-1-N,4,4-trimethyl-1-N-(2-pyridin-2-ylethyl)pentane-1,3-diamine
CID 62622811
N-methyl-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 21307320
4-[2-(dimethylamino)ethyl-methylamino]-2-(ethylamino)butanenitrile
CID 63700649
2-ethyl-2-(ethylamino)-5-[methyl(2-pyridin-2-ylethyl)amino]pentanenitrile
CID 106802785
methyl 4-[methyl(2-pyridin-2-ylethyl)amino]-2-(propylamino)butanoate
CID 63027374
N-ethyl-N',2-dimethyl-N'-(2-pyridin-2-ylethyl)propane-1,3-diamine
CID 62418035
2-amino-4-[methyl(2-pyridin-2-ylethyl)amino]butanoic acid
CID 55144478
1-[methyl(2-pyridin-2-ylethyl)amino]pentan-2-ol
CID 62042147
3-N-ethyl-1-N,4,4-trimethyl-1-N-(pyridin-2-ylmethyl)pentane-1,3-diamine
CID 62623524
3-[methyl(2-pyridin-2-ylethyl)amino]propan-1-ol
CID 43393524
2-[2-[methyl(2-pyridin-2-ylethyl)amino]ethoxy]benzonitrile
CID 43288846
5-chloro-N-methyl-N-(2-pyridin-2-ylethyl)pentan-1-amine
CID 61289139

Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]butanenitrile?
The IUPAC name of 2-(ethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]butanenitrile (CID 63027499) is 2-(ethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]butanenitrile.
What is the SMILES notation for 2-(ethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]butanenitrile?
The canonical SMILES for 2-(ethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]butanenitrile is CCNC(C#N)CCN(C)CCc1ccccn1.
What is the InChIKey of 2-(ethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]butanenitrile?
The InChIKey is QNIBTZIHWROEBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-3-16-14(12-15)8-11-18(2)10-7-13-6-4-5-9-17-13/h4-6,9,14,16H,3,7-8,10-11H2,1-2H3.
What are the key properties of 2-(ethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]butanenitrile?
2-(ethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]butanenitrile has a molecular weight of 246.36 g/mol, XLogP of 1.45, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-4-[methyl(2-pyridin-2-ylethyl)amino]butanenitrile is sourced from PubChem (CID 63027499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).