3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-one

C18H32N2O — CID 81200334

IUPAC3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-one
SMILESCC1CC(=O)C(CN2CCC3C(CCCN3C)C2)C(C)C1
InChIInChI=1S/C18H32N2O/c1-13-9-14(2)16(18(21)10-13)12-20-8-6-17-15(11-20)5-4-7-19(17)3/h13-17H,4-12H2,1-3H3
InChIKeyPXZXOYZPKPUBBX-UHFFFAOYSA-N
MW292.47 g/mol
LogP2.65
Rot. Bonds2

About 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-one

3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-one (PubChem CID 81200334) has the molecular formula C18H32N2O and a molecular weight of 292.47 g/mol. Its IUPAC name is 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-one.

Molecular Properties

Compound Name3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-one
PubChem CID81200334
Molecular FormulaC18H32N2O
Molecular Weight292.47 g/mol
Exact Mass292.25
IUPAC Name3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-one
SMILESCC1CC(=O)C(CN2CCC3C(CCCN3C)C2)C(C)C1
InChIInChI=1S/C18H32N2O/c1-13-9-14(2)16(18(21)10-13)12-20-8-6-17-15(11-20)5-4-7-19(17)3/h13-17H,4-12H2,1-3H3
InChIKeyPXZXOYZPKPUBBX-UHFFFAOYSA-N
XLogP2.65
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-one with MolForge

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Related Compounds

3,5-dimethyl-2-[(4-methylazepan-1-yl)methyl]cyclohexan-1-one
CID 64735412
3,5-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]cyclohexan-1-one
CID 64734815
2-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]-3,5-dimethylcyclohexan-1-one
CID 64737576
3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-amine
CID 81200535
3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-one
CID 64737560
2-[[4-(2-hydroxyethyl)piperazin-1-yl]methyl]-3,5-dimethylcyclohexan-1-one
CID 64737363
1-methyl-6-[(4-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199895
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-3,5-dimethylcyclohexan-1-one
CID 64737381
1-methyl-6-[(2-methylpyrrolidin-3-yl)methyl]-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridine
CID 81199045
3,5-dimethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-ol
CID 81198795
2-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-ylmethyl)-3,5-dimethylcyclohexan-1-one
CID 64736989
2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cycloheptan-1-ol
CID 81200547

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-one?
The IUPAC name of 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-one (CID 81200334) is 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-one.
What is the SMILES notation for 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-one?
The canonical SMILES for 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-one is CC1CC(=O)C(CN2CCC3C(CCCN3C)C2)C(C)C1.
What is the InChIKey of 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-one?
The InChIKey is PXZXOYZPKPUBBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2O/c1-13-9-14(2)16(18(21)10-13)12-20-8-6-17-15(11-20)5-4-7-19(17)3/h13-17H,4-12H2,1-3H3.
What are the key properties of 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-one?
3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-one has a molecular weight of 292.47 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-2-[(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)methyl]cyclohexan-1-one is sourced from PubChem (CID 81200334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).