3-pyridin-4-ylpropan-1-amine

C8H12N2 — CID 14347466

IUPAC3-pyridin-4-ylpropan-1-amine
SMILESNCCCc1ccncc1
InChIInChI=1S/C8H12N2/c9-5-1-2-8-3-6-10-7-4-8/h3-4,6-7H,1-2,5,9H2
InChIKeyJURFPUSNTWSSPJ-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.97
Rot. Bonds3

About 3-pyridin-4-ylpropan-1-amine

3-pyridin-4-ylpropan-1-amine (PubChem CID 14347466) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 3-pyridin-4-ylpropan-1-amine.

Molecular Properties

Compound Name3-pyridin-4-ylpropan-1-amine
PubChem CID14347466
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name3-pyridin-4-ylpropan-1-amine
SMILESNCCCc1ccncc1
InChIInChI=1S/C8H12N2/c9-5-1-2-8-3-6-10-7-4-8/h3-4,6-7H,1-2,5,9H2
InChIKeyJURFPUSNTWSSPJ-UHFFFAOYSA-N
XLogP0.97
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-4-ylpropan-1-amine?
The IUPAC name of 3-pyridin-4-ylpropan-1-amine (CID 14347466) is 3-pyridin-4-ylpropan-1-amine.
What is the SMILES notation for 3-pyridin-4-ylpropan-1-amine?
The canonical SMILES for 3-pyridin-4-ylpropan-1-amine is NCCCc1ccncc1.
What is the InChIKey of 3-pyridin-4-ylpropan-1-amine?
The InChIKey is JURFPUSNTWSSPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c9-5-1-2-8-3-6-10-7-4-8/h3-4,6-7H,1-2,5,9H2.
What are the key properties of 3-pyridin-4-ylpropan-1-amine?
3-pyridin-4-ylpropan-1-amine has a molecular weight of 136.20 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-4-ylpropan-1-amine is sourced from PubChem (CID 14347466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).