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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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).