2-N-(3-methylbutyl)pyridine-2,3,4-triamine

C10H18N4 — CID 130593940

IUPAC2-N-(3-methylbutyl)pyridine-2,3,4-triamine
SMILESCC(C)CCNc1nccc(N)c1N
InChIInChI=1S/C10H18N4/c1-7(2)3-5-13-10-9(12)8(11)4-6-14-10/h4,6-7H,3,5,12H2,1-2H3,(H3,11,13,14)
InChIKeyONOPTJAAJWLBCC-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.70
Rot. Bonds4

About 2-N-(3-methylbutyl)pyridine-2,3,4-triamine

2-N-(3-methylbutyl)pyridine-2,3,4-triamine (PubChem CID 130593940) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 2-N-(3-methylbutyl)pyridine-2,3,4-triamine.

Molecular Properties

Compound Name2-N-(3-methylbutyl)pyridine-2,3,4-triamine
PubChem CID130593940
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name2-N-(3-methylbutyl)pyridine-2,3,4-triamine
SMILESCC(C)CCNc1nccc(N)c1N
InChIInChI=1S/C10H18N4/c1-7(2)3-5-13-10-9(12)8(11)4-6-14-10/h4,6-7H,3,5,12H2,1-2H3,(H3,11,13,14)
InChIKeyONOPTJAAJWLBCC-UHFFFAOYSA-N
XLogP1.70
TPSA76.96 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-(3-methylbutyl)-4-N-propan-2-ylpyrimidine-4,5,6-triamine
CID 19135694
3-methyl-N-(3-methylbutyl)pyridin-2-amine
CID 60960877
2-N-methylpyridine-2,3,4-triamine
CID 130593934
2-N-[(E)-but-2-enyl]pyridine-2,3,4-triamine
CID 131241598
6-N-(3-methylbutyl)-4-N-(1-phenylethyl)pyrimidine-4,5,6-triamine
CID 19145751
6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147842
4-N,4-N-diethyl-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 19136831
(2S)-4-[(3-amino-2-pyridinyl)amino]butan-2-ol
CID 86323908
5-[(3-amino-4-methyl-2-pyridinyl)amino]-2-methylpentan-1-ol
CID 106154628
6-N-(3-methylbutyl)-4-N-(6-methyl-2-pyridinyl)pyrimidine-4,5,6-triamine
CID 22542416
N'-[5-amino-6-(3-methylbutylamino)pyrimidin-4-yl]pyridine-2-carbohydrazide
CID 19151979
4-N-(2,5-difluorophenyl)-6-N-(3-methylbutyl)pyrimidine-4,5,6-triamine
CID 19153133

Frequently Asked Questions

What is the IUPAC name of 2-N-(3-methylbutyl)pyridine-2,3,4-triamine?
The IUPAC name of 2-N-(3-methylbutyl)pyridine-2,3,4-triamine (CID 130593940) is 2-N-(3-methylbutyl)pyridine-2,3,4-triamine.
What is the SMILES notation for 2-N-(3-methylbutyl)pyridine-2,3,4-triamine?
The canonical SMILES for 2-N-(3-methylbutyl)pyridine-2,3,4-triamine is CC(C)CCNc1nccc(N)c1N.
What is the InChIKey of 2-N-(3-methylbutyl)pyridine-2,3,4-triamine?
The InChIKey is ONOPTJAAJWLBCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4/c1-7(2)3-5-13-10-9(12)8(11)4-6-14-10/h4,6-7H,3,5,12H2,1-2H3,(H3,11,13,14).
What are the key properties of 2-N-(3-methylbutyl)pyridine-2,3,4-triamine?
2-N-(3-methylbutyl)pyridine-2,3,4-triamine has a molecular weight of 194.28 g/mol, XLogP of 1.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(3-methylbutyl)pyridine-2,3,4-triamine is sourced from PubChem (CID 130593940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).