3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pyridine-2-carbonitrile

C14H22N4 — CID 115317894

IUPAC3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pyridine-2-carbonitrile
SMILESCC(C)C(N)CCN(C)Cc1cccnc1C#N
InChIInChI=1S/C14H22N4/c1-11(2)13(16)6-8-18(3)10-12-5-4-7-17-14(12)9-15/h4-5,7,11,13H,6,8,10,16H2,1-3H3
InChIKeyPAFCQUQTMTYKBI-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.76
Rot. Bonds6

About 3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pyridine-2-carbonitrile

3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pyridine-2-carbonitrile (PubChem CID 115317894) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pyridine-2-carbonitrile
PubChem CID115317894
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pyridine-2-carbonitrile
SMILESCC(C)C(N)CCN(C)Cc1cccnc1C#N
InChIInChI=1S/C14H22N4/c1-11(2)13(16)6-8-18(3)10-12-5-4-7-17-14(12)9-15/h4-5,7,11,13H,6,8,10,16H2,1-3H3
InChIKeyPAFCQUQTMTYKBI-UHFFFAOYSA-N
XLogP1.76
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 ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-4-methylpentyl)-2-cyano-N-methylpyridine-3-sulfonamide
CID 106598661
3-[[3-methoxypropyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 62985541
3-[[(4-aminophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62895109
3-[[(2-hydroxy-2-methylpropyl)-methylamino]methyl]pyridine-2-carbonitrile
CID 79381926
3-[[(4-bromophenyl)methyl-methylamino]methyl]pyridine-2-carbonitrile
CID 62921272
1-N,4-dimethyl-1-N-[[2-(trifluoromethyl)phenyl]methyl]pentane-1,3-diamine
CID 81491313
3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 62921108
1-N,4-dimethyl-1-N-[(1-propan-2-ylpyrazol-3-yl)methyl]pentane-1,3-diamine
CID 81490431
3-[[1-(dimethylamino)propan-2-ylamino]methyl]pyridine-2-carbonitrile
CID 82939107
3-[[cyclopentyl(methyl)amino]methyl]pyridine-2-carbonitrile
CID 62894133
1-N-[(2,4-difluorophenyl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 81490420
3-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]pyridine-2-carbonitrile
CID 62920948

Frequently Asked Questions

What is the IUPAC name of 3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pyridine-2-carbonitrile (CID 115317894) is 3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pyridine-2-carbonitrile is CC(C)C(N)CCN(C)Cc1cccnc1C#N.
What is the InChIKey of 3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pyridine-2-carbonitrile?
The InChIKey is PAFCQUQTMTYKBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-11(2)13(16)6-8-18(3)10-12-5-4-7-17-14(12)9-15/h4-5,7,11,13H,6,8,10,16H2,1-3H3.
What are the key properties of 3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pyridine-2-carbonitrile?
3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pyridine-2-carbonitrile has a molecular weight of 246.36 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3-amino-4-methylpentyl)-methylamino]methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 115317894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).