3-(1,4-dihydropyridin-2-yl)propan-1-amine

C8H14N2 — CID 19980447

IUPAC3-(1,4-dihydropyridin-2-yl)propan-1-amine
SMILESNCCCC1=CCC=CN1
InChIInChI=1S/C8H14N2/c9-6-3-5-8-4-1-2-7-10-8/h2,4,7,10H,1,3,5-6,9H2
InChIKeyYEEOAPXPBNFEOW-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.12
Rot. Bonds3

About 3-(1,4-dihydropyridin-2-yl)propan-1-amine

3-(1,4-dihydropyridin-2-yl)propan-1-amine (PubChem CID 19980447) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 3-(1,4-dihydropyridin-2-yl)propan-1-amine.

Molecular Properties

Compound Name3-(1,4-dihydropyridin-2-yl)propan-1-amine
PubChem CID19980447
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name3-(1,4-dihydropyridin-2-yl)propan-1-amine
SMILESNCCCC1=CCC=CN1
InChIInChI=1S/C8H14N2/c9-6-3-5-8-4-1-2-7-10-8/h2,4,7,10H,1,3,5-6,9H2
InChIKeyYEEOAPXPBNFEOW-UHFFFAOYSA-N
XLogP1.12
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1,4-dihydropyridin-2-yl)propan-1-amine?
The IUPAC name of 3-(1,4-dihydropyridin-2-yl)propan-1-amine (CID 19980447) is 3-(1,4-dihydropyridin-2-yl)propan-1-amine.
What is the SMILES notation for 3-(1,4-dihydropyridin-2-yl)propan-1-amine?
The canonical SMILES for 3-(1,4-dihydropyridin-2-yl)propan-1-amine is NCCCC1=CCC=CN1.
What is the InChIKey of 3-(1,4-dihydropyridin-2-yl)propan-1-amine?
The InChIKey is YEEOAPXPBNFEOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c9-6-3-5-8-4-1-2-7-10-8/h2,4,7,10H,1,3,5-6,9H2.
What are the key properties of 3-(1,4-dihydropyridin-2-yl)propan-1-amine?
3-(1,4-dihydropyridin-2-yl)propan-1-amine has a molecular weight of 138.21 g/mol, XLogP of 1.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,4-dihydropyridin-2-yl)propan-1-amine is sourced from PubChem (CID 19980447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).