3-pentan-3-yl-2H-pyridine-2,3-diamine

C10H19N3 — CID 145486557

IUPAC3-pentan-3-yl-2H-pyridine-2,3-diamine
SMILESCCC(CC)C1(N)C=CC=NC1N
InChIInChI=1S/C10H19N3/c1-3-8(4-2)10(12)6-5-7-13-9(10)11/h5-9H,3-4,11-12H2,1-2H3
InChIKeyHJPNLVGQHWSMLV-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.05
Rot. Bonds3

About 3-pentan-3-yl-2H-pyridine-2,3-diamine

3-pentan-3-yl-2H-pyridine-2,3-diamine (PubChem CID 145486557) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-pentan-3-yl-2H-pyridine-2,3-diamine.

Molecular Properties

Compound Name3-pentan-3-yl-2H-pyridine-2,3-diamine
PubChem CID145486557
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name3-pentan-3-yl-2H-pyridine-2,3-diamine
SMILESCCC(CC)C1(N)C=CC=NC1N
InChIInChI=1S/C10H19N3/c1-3-8(4-2)10(12)6-5-7-13-9(10)11/h5-9H,3-4,11-12H2,1-2H3
InChIKeyHJPNLVGQHWSMLV-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-cyclopropyl-5-fluoro-2H-pyridine-2,3-diamine
CID 154375476
3-[(2R)-3,3-difluoropent-4-en-2-yl]-2,3-dihydropyridin-2-amine
CID 176663647
2-(2-Propylpyrrol-2-yl)ethanamine
CID 57077373
5-(2-methylpropyl)-2H-pyridine-2,5-diamine
CID 68835756
3-butyl-5-methyl-2H-pyridine-2,3-diamine
CID 137463637
5-methyl-3-propyl-2H-pyridine-2,3-diamine
CID 137463873
(E)-5-(3,4-dimethylpentylimino)-3-ethenylpent-3-en-2-amine
CID 138702998
3-(3-methylbutyl)-2H-pyridine-2,3-diamine
CID 151850261
3-propyl-2H-pyridin-3-amine
CID 153820405
3-propan-2-yl-2H-pyridine-2,3-diamine
CID 154294298
3-ethyl-2H-pyridine-2,3-diamine
CID 154321895
2-[(2S)-2-methyl-3H-pyridin-2-yl]ethanamine
CID 173495334

Frequently Asked Questions

What is the IUPAC name of 3-pentan-3-yl-2H-pyridine-2,3-diamine?
The IUPAC name of 3-pentan-3-yl-2H-pyridine-2,3-diamine (CID 145486557) is 3-pentan-3-yl-2H-pyridine-2,3-diamine.
What is the SMILES notation for 3-pentan-3-yl-2H-pyridine-2,3-diamine?
The canonical SMILES for 3-pentan-3-yl-2H-pyridine-2,3-diamine is CCC(CC)C1(N)C=CC=NC1N.
What is the InChIKey of 3-pentan-3-yl-2H-pyridine-2,3-diamine?
The InChIKey is HJPNLVGQHWSMLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3/c1-3-8(4-2)10(12)6-5-7-13-9(10)11/h5-9H,3-4,11-12H2,1-2H3.
What are the key properties of 3-pentan-3-yl-2H-pyridine-2,3-diamine?
3-pentan-3-yl-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-pentan-3-yl-2H-pyridine-2,3-diamine is sourced from PubChem (CID 145486557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).