4-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)-N-methylbutan-1-amine

C13H23N3 — CID 166838298

IUPAC4-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)-N-methylbutan-1-amine
SMILESCNCCCCC1=NC2=C(CCCN2)CC1
InChIInChI=1S/C13H23N3/c1-14-9-3-2-6-12-8-7-11-5-4-10-15-13(11)16-12/h14-15H,2-10H2,1H3
InChIKeyLEEPLSIRQVGGFP-UHFFFAOYSA-N
MW221.35 g/mol
LogP2.21
Rot. Bonds5

About 4-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)-N-methylbutan-1-amine

4-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)-N-methylbutan-1-amine (PubChem CID 166838298) has the molecular formula C13H23N3 and a molecular weight of 221.35 g/mol. Its IUPAC name is 4-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)-N-methylbutan-1-amine
PubChem CID166838298
Molecular FormulaC13H23N3
Molecular Weight221.35 g/mol
Exact Mass221.19
IUPAC Name4-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)-N-methylbutan-1-amine
SMILESCNCCCCC1=NC2=C(CCCN2)CC1
InChIInChI=1S/C13H23N3/c1-14-9-3-2-6-12-8-7-11-5-4-10-15-13(11)16-12/h14-15H,2-10H2,1H3
InChIKeyLEEPLSIRQVGGFP-UHFFFAOYSA-N
XLogP2.21
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 4-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)-N-methylbutan-1-amine?
The IUPAC name of 4-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)-N-methylbutan-1-amine (CID 166838298) is 4-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)-N-methylbutan-1-amine?
The canonical SMILES for 4-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)-N-methylbutan-1-amine is CNCCCCC1=NC2=C(CCCN2)CC1.
What is the InChIKey of 4-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)-N-methylbutan-1-amine?
The InChIKey is LEEPLSIRQVGGFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3/c1-14-9-3-2-6-12-8-7-11-5-4-10-15-13(11)16-12/h14-15H,2-10H2,1H3.
What are the key properties of 4-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)-N-methylbutan-1-amine?
4-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)-N-methylbutan-1-amine has a molecular weight of 221.35 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4,5,6,7,8-hexahydro-1,8-naphthyridin-2-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 166838298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).