1-pyridin-3-ylpropane-1,3-diamine

C8H13N3 — CID 116932848

IUPAC1-pyridin-3-ylpropane-1,3-diamine
SMILESNCCC(N)c1cccnc1
InChIInChI=1S/C8H13N3/c9-4-3-8(10)7-2-1-5-11-6-7/h1-2,5-6,8H,3-4,9-10H2
InChIKeyDEPXQXUBHRRYIM-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.43
Rot. Bonds3

About 1-pyridin-3-ylpropane-1,3-diamine

1-pyridin-3-ylpropane-1,3-diamine (PubChem CID 116932848) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 1-pyridin-3-ylpropane-1,3-diamine.

Molecular Properties

Compound Name1-pyridin-3-ylpropane-1,3-diamine
PubChem CID116932848
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name1-pyridin-3-ylpropane-1,3-diamine
SMILESNCCC(N)c1cccnc1
InChIInChI=1S/C8H13N3/c9-4-3-8(10)7-2-1-5-11-6-7/h1-2,5-6,8H,3-4,9-10H2
InChIKeyDEPXQXUBHRRYIM-UHFFFAOYSA-N
XLogP0.43
TPSA64.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1S)-1-pyridin-3-ylpentane-1,5-diamine;hydrochloride
CID 171221036
(1R)-3-fluoro-1-pyridin-3-ylpropan-1-amine;hydrochloride
CID 171201508
(4R)-4-amino-4-pyridin-3-ylbutan-1-ol
CID 15886729
4-amino-4-pyridin-3-ylbutan-1-ol
CID 85412290
(1S)-1-pyridin-3-ylhexan-1-amine
CID 94506966
2-amino-2-pyridin-3-ylethanol
CID 2734590
3-methylsulfonyl-1-pyridin-3-ylpropan-1-amine
CID 62602759
4-methoxy-1-pyridin-3-ylpentan-1-amine
CID 105098535
3-methyl-1-pyridin-3-ylbutane-1,4-diamine
CID 116934246
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
(1R)-3,3,3-trifluoro-1-pyridin-3-ylpropan-1-amine
CID 103689442
(1S)-2-phenyl-1-pyridin-3-ylethanamine
CID 93312491

Frequently Asked Questions

What is the IUPAC name of 1-pyridin-3-ylpropane-1,3-diamine?
The IUPAC name of 1-pyridin-3-ylpropane-1,3-diamine (CID 116932848) is 1-pyridin-3-ylpropane-1,3-diamine.
What is the SMILES notation for 1-pyridin-3-ylpropane-1,3-diamine?
The canonical SMILES for 1-pyridin-3-ylpropane-1,3-diamine is NCCC(N)c1cccnc1.
What is the InChIKey of 1-pyridin-3-ylpropane-1,3-diamine?
The InChIKey is DEPXQXUBHRRYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c9-4-3-8(10)7-2-1-5-11-6-7/h1-2,5-6,8H,3-4,9-10H2.
What are the key properties of 1-pyridin-3-ylpropane-1,3-diamine?
1-pyridin-3-ylpropane-1,3-diamine has a molecular weight of 151.21 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyridin-3-ylpropane-1,3-diamine is sourced from PubChem (CID 116932848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).