5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one

C15H29N3O — CID 82689255

IUPAC5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one
SMILESCC(CN)CCC(=O)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C15H29N3O/c1-12(10-16)5-6-15(19)18-9-7-14-13(11-18)4-3-8-17(14)2/h12-14H,3-11,16H2,1-2H3
InChIKeySFSGTJRUINYUSS-UHFFFAOYSA-N
MW267.42 g/mol
LogP1.30
Rot. Bonds4

About 5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one

5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one (PubChem CID 82689255) has the molecular formula C15H29N3O and a molecular weight of 267.42 g/mol. Its IUPAC name is 5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one.

Molecular Properties

Compound Name5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one
PubChem CID82689255
Molecular FormulaC15H29N3O
Molecular Weight267.42 g/mol
Exact Mass267.23
IUPAC Name5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one
SMILESCC(CN)CCC(=O)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C15H29N3O/c1-12(10-16)5-6-15(19)18-9-7-14-13(11-18)4-3-8-17(14)2/h12-14H,3-11,16H2,1-2H3
InChIKeySFSGTJRUINYUSS-UHFFFAOYSA-N
XLogP1.30
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.42
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one?
The IUPAC name of 5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one (CID 82689255) is 5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one.
What is the SMILES notation for 5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one?
The canonical SMILES for 5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one is CC(CN)CCC(=O)N1CCC2C(CCCN2C)C1.
What is the InChIKey of 5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one?
The InChIKey is SFSGTJRUINYUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N3O/c1-12(10-16)5-6-15(19)18-9-7-14-13(11-18)4-3-8-17(14)2/h12-14H,3-11,16H2,1-2H3.
What are the key properties of 5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one?
5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one has a molecular weight of 267.42 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)pentan-1-one is sourced from PubChem (CID 82689255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).