3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine

C9H16N2 — CID 123947708

IUPAC3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine
SMILESCNCCCC1=CC=NCC1
InChIInChI=1S/C9H16N2/c1-10-6-2-3-9-4-7-11-8-5-9/h4,7,10H,2-3,5-6,8H2,1H3
InChIKeyFTSQGSSANXOKBH-UHFFFAOYSA-N
MW152.24 g/mol
LogP1.39
Rot. Bonds4

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

3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine (PubChem CID 123947708) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine
PubChem CID123947708
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine
SMILESCNCCCC1=CC=NCC1
InChIInChI=1S/C9H16N2/c1-10-6-2-3-9-4-7-11-8-5-9/h4,7,10H,2-3,5-6,8H2,1H3
InChIKeyFTSQGSSANXOKBH-UHFFFAOYSA-N
XLogP1.39
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine?
The IUPAC name of 3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine (CID 123947708) is 3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine?
The canonical SMILES for 3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine is CNCCCC1=CC=NCC1.
What is the InChIKey of 3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine?
The InChIKey is FTSQGSSANXOKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-10-6-2-3-9-4-7-11-8-5-9/h4,7,10H,2-3,5-6,8H2,1H3.
What are the key properties of 3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine?
3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine has a molecular weight of 152.24 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydropyridin-4-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 123947708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).