4-[methyl(pyridin-2-yl)amino]butanenitrile

C10H13N3 — CID 115231630

IUPAC4-[methyl(pyridin-2-yl)amino]butanenitrile
SMILESCN(CCCC#N)c1ccccn1
InChIInChI=1S/C10H13N3/c1-13(9-5-3-7-11)10-6-2-4-8-12-10/h2,4,6,8H,3,5,9H2,1H3
InChIKeyZJDBJHOYJBFIPJ-UHFFFAOYSA-N
MW175.24 g/mol
LogP1.82
Rot. Bonds4

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

4-[methyl(pyridin-2-yl)amino]butanenitrile (PubChem CID 115231630) has the molecular formula C10H13N3 and a molecular weight of 175.24 g/mol. Its IUPAC name is 4-[methyl(pyridin-2-yl)amino]butanenitrile.

Molecular Properties

Compound Name4-[methyl(pyridin-2-yl)amino]butanenitrile
PubChem CID115231630
Molecular FormulaC10H13N3
Molecular Weight175.24 g/mol
Exact Mass175.11
IUPAC Name4-[methyl(pyridin-2-yl)amino]butanenitrile
SMILESCN(CCCC#N)c1ccccn1
InChIInChI=1S/C10H13N3/c1-13(9-5-3-7-11)10-6-2-4-8-12-10/h2,4,6,8H,3,5,9H2,1H3
InChIKeyZJDBJHOYJBFIPJ-UHFFFAOYSA-N
XLogP1.82
TPSA39.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.24
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-[methyl(pyridin-2-yl)amino]propan-1-ol
CID 57466357
4-[methyl(pyridin-2-yl)amino]butan-1-ol
CID 115217548
N'-methyl-N'-pyridin-2-ylpropane-1,3-diamine;dihydrochloride
CID 134690924
N-methyl-N-(4-phenylbutyl)pyridin-2-amine
CID 102464733
N-methyl-N-propylpyridin-2-amine;hydrochloride
CID 69422308
3-methyl-2-[[methyl(pyridin-2-yl)amino]methyl]butanenitrile
CID 115254408
N-ethyl-N-methylpyridin-2-amine;hydrochloride
CID 175013921
ethane;N'-methyl-N'-pyridin-2-ylmethanediamine
CID 91614077
N-methyl-N-(3-piperazin-1-ylpropyl)pyridin-2-amine
CID 115230516
4-[(3-amino-4-pyridinyl)-methylamino]butanenitrile
CID 61358059
N-methyl-N-[2-(methylaminooxy)ethyl]pyridin-2-amine
CID 89132306
N-[2-(4-bromophenyl)ethyl]-N-methylpyridin-2-amine
CID 133292178

Frequently Asked Questions

What is the IUPAC name of 4-[methyl(pyridin-2-yl)amino]butanenitrile?
The IUPAC name of 4-[methyl(pyridin-2-yl)amino]butanenitrile (CID 115231630) is 4-[methyl(pyridin-2-yl)amino]butanenitrile.
What is the SMILES notation for 4-[methyl(pyridin-2-yl)amino]butanenitrile?
The canonical SMILES for 4-[methyl(pyridin-2-yl)amino]butanenitrile is CN(CCCC#N)c1ccccn1.
What is the InChIKey of 4-[methyl(pyridin-2-yl)amino]butanenitrile?
The InChIKey is ZJDBJHOYJBFIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3/c1-13(9-5-3-7-11)10-6-2-4-8-12-10/h2,4,6,8H,3,5,9H2,1H3.
What are the key properties of 4-[methyl(pyridin-2-yl)amino]butanenitrile?
4-[methyl(pyridin-2-yl)amino]butanenitrile has a molecular weight of 175.24 g/mol, XLogP of 1.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[methyl(pyridin-2-yl)amino]butanenitrile is sourced from PubChem (CID 115231630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).