3-(3-methylbutyl)-2H-pyridine-2,3-diamine

C10H19N3 — CID 151850261

IUPAC3-(3-methylbutyl)-2H-pyridine-2,3-diamine
SMILESCC(C)CCC1(N)C=CC=NC1N
InChIInChI=1S/C10H19N3/c1-8(2)4-6-10(12)5-3-7-13-9(10)11/h3,5,7-9H,4,6,11-12H2,1-2H3
InChIKeySINHQIADYUUVMY-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.05
Rot. Bonds3

About 3-(3-methylbutyl)-2H-pyridine-2,3-diamine

3-(3-methylbutyl)-2H-pyridine-2,3-diamine (PubChem CID 151850261) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-(3-methylbutyl)-2H-pyridine-2,3-diamine.

Molecular Properties

Compound Name3-(3-methylbutyl)-2H-pyridine-2,3-diamine
PubChem CID151850261
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-(3-methylbutyl)-2H-pyridine-2,3-diamine
SMILESCC(C)CCC1(N)C=CC=NC1N
InChIInChI=1S/C10H19N3/c1-8(2)4-6-10(12)5-3-7-13-9(10)11/h3,5,7-9H,4,6,11-12H2,1-2H3
InChIKeySINHQIADYUUVMY-UHFFFAOYSA-N
XLogP1.05
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,4,4-trifluorobutyl)-2H-pyridine-2,3-diamine
CID 154315144
2-(2-Propylpyrrol-2-yl)ethanamine
CID 57077373
1-(2-Propylpyrrol-2-yl)propan-2-amine
CID 57078424
5-(2-methylpropyl)-2H-pyridine-2,5-diamine
CID 68835756
3-butyl-3-methyl-2H-pyridin-2-amine
CID 90010536
(4-Propyliminocyclohex-2-en-1-yl)methanamine
CID 123339384
(4-Butyliminocyclohex-2-en-1-yl)methanamine
CID 123602996
(2R)-2-(2,3-dihydropyridin-2-yl)-4-methylpentan-1-amine
CID 132227948
5-bromo-3-butyl-2H-pyridine-2,3-diamine
CID 137463634
3-butyl-5-methyl-2H-pyridine-2,3-diamine
CID 137463637
5-methyl-3-propyl-2H-pyridine-2,3-diamine
CID 137463873
3-pentan-3-yl-2H-pyridine-2,3-diamine
CID 145486557

Frequently Asked Questions

What is the IUPAC name of 3-(3-methylbutyl)-2H-pyridine-2,3-diamine?
The IUPAC name of 3-(3-methylbutyl)-2H-pyridine-2,3-diamine (CID 151850261) is 3-(3-methylbutyl)-2H-pyridine-2,3-diamine.
What is the SMILES notation for 3-(3-methylbutyl)-2H-pyridine-2,3-diamine?
The canonical SMILES for 3-(3-methylbutyl)-2H-pyridine-2,3-diamine is CC(C)CCC1(N)C=CC=NC1N.
What is the InChIKey of 3-(3-methylbutyl)-2H-pyridine-2,3-diamine?
The InChIKey is SINHQIADYUUVMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-8(2)4-6-10(12)5-3-7-13-9(10)11/h3,5,7-9H,4,6,11-12H2,1-2H3.
What are the key properties of 3-(3-methylbutyl)-2H-pyridine-2,3-diamine?
3-(3-methylbutyl)-2H-pyridine-2,3-diamine has a molecular weight of 181.28 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylbutyl)-2H-pyridine-2,3-diamine is sourced from PubChem (CID 151850261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).