4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-(2-methylpropyl)pentan-1-amine

C18H37N3 — CID 81194990

IUPAC4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCC(C)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C18H37N3/c1-15(2)13-19-10-5-7-16(3)21-12-9-18-17(14-21)8-6-11-20(18)4/h15-19H,5-14H2,1-4H3
InChIKeyAFHCXRMKMVPPFN-UHFFFAOYSA-N
MW295.51 g/mol
LogP2.82
Rot. Bonds7

About 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-(2-methylpropyl)pentan-1-amine

4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-(2-methylpropyl)pentan-1-amine (PubChem CID 81194990) has the molecular formula C18H37N3 and a molecular weight of 295.51 g/mol. Its IUPAC name is 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-(2-methylpropyl)pentan-1-amine.

Molecular Properties

Compound Name4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-(2-methylpropyl)pentan-1-amine
PubChem CID81194990
Molecular FormulaC18H37N3
Molecular Weight295.51 g/mol
Exact Mass295.30
IUPAC Name4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-(2-methylpropyl)pentan-1-amine
SMILESCC(C)CNCCCC(C)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C18H37N3/c1-15(2)13-19-10-5-7-16(3)21-12-9-18-17(14-21)8-6-11-20(18)4/h15-19H,5-14H2,1-4H3
InChIKeyAFHCXRMKMVPPFN-UHFFFAOYSA-N
XLogP2.82
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.51
LogP ≤ 52.82
H-Bond Donors ≤ 51
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-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-(2-methylpropyl)pentan-1-amine?
The IUPAC name of 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-(2-methylpropyl)pentan-1-amine (CID 81194990) is 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-(2-methylpropyl)pentan-1-amine.
What is the SMILES notation for 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-(2-methylpropyl)pentan-1-amine?
The canonical SMILES for 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-(2-methylpropyl)pentan-1-amine is CC(C)CNCCCC(C)N1CCC2C(CCCN2C)C1.
What is the InChIKey of 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-(2-methylpropyl)pentan-1-amine?
The InChIKey is AFHCXRMKMVPPFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H37N3/c1-15(2)13-19-10-5-7-16(3)21-12-9-18-17(14-21)8-6-11-20(18)4/h15-19H,5-14H2,1-4H3.
What are the key properties of 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-(2-methylpropyl)pentan-1-amine?
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-(2-methylpropyl)pentan-1-amine has a molecular weight of 295.51 g/mol, XLogP of 2.82, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-N-(2-methylpropyl)pentan-1-amine is sourced from PubChem (CID 81194990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).