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

C16H31N3O — CID 81199611

IUPAC6-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one
SMILESCC(CCN)CCC(=O)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C16H31N3O/c1-13(7-9-17)5-6-16(20)19-11-8-15-14(12-19)4-3-10-18(15)2/h13-15H,3-12,17H2,1-2H3
InChIKeyFRVKGCKSAYSAGN-UHFFFAOYSA-N
MW281.44 g/mol
LogP1.69
Rot. Bonds5

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

6-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one (PubChem CID 81199611) has the molecular formula C16H31N3O and a molecular weight of 281.44 g/mol. Its IUPAC name is 6-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one.

Molecular Properties

Compound Name6-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one
PubChem CID81199611
Molecular FormulaC16H31N3O
Molecular Weight281.44 g/mol
Exact Mass281.25
IUPAC Name6-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one
SMILESCC(CCN)CCC(=O)N1CCC2C(CCCN2C)C1
InChIInChI=1S/C16H31N3O/c1-13(7-9-17)5-6-16(20)19-11-8-15-14(12-19)4-3-10-18(15)2/h13-15H,3-12,17H2,1-2H3
InChIKeyFRVKGCKSAYSAGN-UHFFFAOYSA-N
XLogP1.69
TPSA49.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one with MolForge

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Related Compounds

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
6-amino-4,4-dimethyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one
CID 81199855
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-oxobutanoic acid
CID 81196833
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-2-propan-2-yloxyethanone
CID 112700457
ethyl 4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-4-oxobutanoate
CID 81196697
6-amino-1-[(3R)-3-hydroxypyrrolidin-1-yl]-4-methylhexan-1-one
CID 107217188
6-amino-4-methyl-1-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)hexan-1-one
CID 79171040
2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one
CID 81199953
1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)butane-1,3-dione
CID 81200263
2-(cyclopropylmethylamino)-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 81200466
2-methoxy-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)ethanone
CID 81205521
(2R)-2-amino-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)propan-1-one;hydrochloride
CID 120873110

Frequently Asked Questions

What is the IUPAC name of 6-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one?
The IUPAC name of 6-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one (CID 81199611) is 6-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one.
What is the SMILES notation for 6-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one?
The canonical SMILES for 6-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one is CC(CCN)CCC(=O)N1CCC2C(CCCN2C)C1.
What is the InChIKey of 6-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one?
The InChIKey is FRVKGCKSAYSAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3O/c1-13(7-9-17)5-6-16(20)19-11-8-15-14(12-19)4-3-10-18(15)2/h13-15H,3-12,17H2,1-2H3.
What are the key properties of 6-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one?
6-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one has a molecular weight of 281.44 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-methyl-1-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)hexan-1-one is sourced from PubChem (CID 81199611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).