4-methoxy-2-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine

C15H31N3O — CID 81196701

IUPAC4-methoxy-2-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine
SMILESCOCCC(C)(CN)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C15H31N3O/c1-15(12-16,7-10-19-3)18-9-6-14-13(11-18)5-4-8-17(14)2/h13-14H,4-12,16H2,1-3H3
InChIKeyNZDYCNQLJTYREZ-UHFFFAOYSA-N
MW269.43 g/mol
LogP1.16
Rot. Bonds5

About 4-methoxy-2-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine

4-methoxy-2-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine (PubChem CID 81196701) has the molecular formula C15H31N3O and a molecular weight of 269.43 g/mol. Its IUPAC name is 4-methoxy-2-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine.

Molecular Properties

Compound Name4-methoxy-2-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine
PubChem CID81196701
Molecular FormulaC15H31N3O
Molecular Weight269.43 g/mol
Exact Mass269.25
IUPAC Name4-methoxy-2-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine
SMILESCOCCC(C)(CN)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C15H31N3O/c1-15(12-16,7-10-19-3)18-9-6-14-13(11-18)5-4-8-17(14)2/h13-14H,4-12,16H2,1-3H3
InChIKeyNZDYCNQLJTYREZ-UHFFFAOYSA-N
XLogP1.16
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine?
The IUPAC name of 4-methoxy-2-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine (CID 81196701) is 4-methoxy-2-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine.
What is the SMILES notation for 4-methoxy-2-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine?
The canonical SMILES for 4-methoxy-2-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine is COCCC(C)(CN)N1CCC2C(CCCN2C)C1.
What is the InChIKey of 4-methoxy-2-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine?
The InChIKey is NZDYCNQLJTYREZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31N3O/c1-15(12-16,7-10-19-3)18-9-6-14-13(11-18)5-4-8-17(14)2/h13-14H,4-12,16H2,1-3H3.
What are the key properties of 4-methoxy-2-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine?
4-methoxy-2-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-methyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butan-1-amine is sourced from PubChem (CID 81196701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).