6-[(1S)-1-aminobutyl]pyridin-3-amine

C9H15N3 — CID 130738853

IUPAC6-[(1S)-1-aminobutyl]pyridin-3-amine
SMILESCCC[C@H](N)c1ccc(N)cn1
InChIInChI=1S/C9H15N3/c1-2-3-8(11)9-5-4-7(10)6-12-9/h4-6,8H,2-3,10-11H2,1H3/t8-/m0/s1
InChIKeyFWRIXSLQYNVWCB-QMMMGPOBSA-N
MW165.24 g/mol
LogP1.46
Rot. Bonds3

About 6-[(1S)-1-aminobutyl]pyridin-3-amine

6-[(1S)-1-aminobutyl]pyridin-3-amine (PubChem CID 130738853) has the molecular formula C9H15N3 and a molecular weight of 165.24 g/mol. Its IUPAC name is 6-[(1S)-1-aminobutyl]pyridin-3-amine.

Molecular Properties

Compound Name6-[(1S)-1-aminobutyl]pyridin-3-amine
PubChem CID130738853
Molecular FormulaC9H15N3
Molecular Weight165.24 g/mol
Exact Mass165.13
IUPAC Name6-[(1S)-1-aminobutyl]pyridin-3-amine
SMILESCCC[C@H](N)c1ccc(N)cn1
InChIInChI=1S/C9H15N3/c1-2-3-8(11)9-5-4-7(10)6-12-9/h4-6,8H,2-3,10-11H2,1H3/t8-/m0/s1
InChIKeyFWRIXSLQYNVWCB-QMMMGPOBSA-N
XLogP1.46
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-(5-methyl-2-pyridinyl)pentan-1-amine
CID 55275982
6-[(1R)-1-amino-2-methylpropyl]pyridin-3-amine
CID 55218698
1-(5-bromo-2-pyridinyl)pentan-1-amine
CID 70087058
4-[(1S)-1-aminobutyl]aniline;dihydrochloride
CID 53484663
1-(5-fluoro-2-pyridinyl)tridecan-1-amine
CID 79705681
1-amino-1-(5-amino-2-pyridinyl)propan-2-ol
CID 55292549
2-(5-amino-2-pyridinyl)butanoic acid
CID 67099005
2-N-methyl-2-N-pentan-2-ylpyridine-2,5-diamine
CID 43571817
N-(5-amino-2-pyridinyl)-2-propylpentanamide
CID 82985458
6-[(1R)-1-amino-2,2,2-trifluoroethyl]pyridin-3-amine
CID 55274249
6-(1-amino-2,2,2-trifluoroethyl)pyridin-3-amine
CID 55271042
1-[5-(trifluoromethyl)-2-pyridinyl]decan-1-amine
CID 105124478

Frequently Asked Questions

What is the IUPAC name of 6-[(1S)-1-aminobutyl]pyridin-3-amine?
The IUPAC name of 6-[(1S)-1-aminobutyl]pyridin-3-amine (CID 130738853) is 6-[(1S)-1-aminobutyl]pyridin-3-amine.
What is the SMILES notation for 6-[(1S)-1-aminobutyl]pyridin-3-amine?
The canonical SMILES for 6-[(1S)-1-aminobutyl]pyridin-3-amine is CCC[C@H](N)c1ccc(N)cn1.
What is the InChIKey of 6-[(1S)-1-aminobutyl]pyridin-3-amine?
The InChIKey is FWRIXSLQYNVWCB-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H15N3/c1-2-3-8(11)9-5-4-7(10)6-12-9/h4-6,8H,2-3,10-11H2,1H3/t8-/m0/s1.
What are the key properties of 6-[(1S)-1-aminobutyl]pyridin-3-amine?
6-[(1S)-1-aminobutyl]pyridin-3-amine has a molecular weight of 165.24 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1S)-1-aminobutyl]pyridin-3-amine is sourced from PubChem (CID 130738853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).