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

C17H32N2O — CID 81198795

IUPAC3,5-dimethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-ol
SMILESCC1CC(C)C(N2CCC3C(CCCN3C)C2)C(O)C1
InChIInChI=1S/C17H32N2O/c1-12-9-13(2)17(16(20)10-12)19-8-6-15-14(11-19)5-4-7-18(15)3/h12-17,20H,4-11H2,1-3H3
InChIKeyMWJRDDVHHQQBIO-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.20
Rot. Bonds1

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

3,5-dimethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-ol (PubChem CID 81198795) has the molecular formula C17H32N2O and a molecular weight of 280.46 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)cyclohexan-1-ol.

Molecular Properties

Compound Name3,5-dimethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-ol
PubChem CID81198795
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name3,5-dimethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-ol
SMILESCC1CC(C)C(N2CCC3C(CCCN3C)C2)C(O)C1
InChIInChI=1S/C17H32N2O/c1-12-9-13(2)17(16(20)10-12)19-8-6-15-14(11-19)5-4-7-18(15)3/h12-17,20H,4-11H2,1-3H3
InChIKeyMWJRDDVHHQQBIO-UHFFFAOYSA-N
XLogP2.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.20
H-Bond Donors ≤ 51
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)cyclohexan-1-ol with MolForge

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Related Compounds

3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentan-1-ol
CID 81198941
4-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-1,1-dioxothiolan-3-ol
CID 114286773
2-(2-cyclopentylpyrrolidin-1-yl)-3,5-dimethylcyclohexan-1-ol
CID 64750705
3-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclobutan-1-amine
CID 81205762
2-(azocan-1-yl)-3,5-dimethylcyclohexan-1-ol
CID 64753048
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclopentane-1-carboxylic acid
CID 81206109
2-(4-cyclopentylpiperazin-1-yl)-3,5-dimethylcyclohexan-1-ol
CID 64751284
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
2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-one
CID 81200101
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
(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)-(3-methylpiperidin-1-yl)methanone
CID 116656880
1-methyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-6-ol
CID 20513234

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)cyclohexan-1-ol?
The IUPAC name of 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) is 3,5-dimethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-ol.
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)cyclohexan-1-ol?
The canonical SMILES for 3,5-dimethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-ol is CC1CC(C)C(N2CCC3C(CCCN3C)C2)C(O)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)cyclohexan-1-ol?
The InChIKey is MWJRDDVHHQQBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-12-9-13(2)17(16(20)10-12)19-8-6-15-14(11-19)5-4-7-18(15)3/h12-17,20H,4-11H2,1-3H3.
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)cyclohexan-1-ol?
3,5-dimethyl-2-(1-methyl-2,3,4,4a,5,7,8,8a-octahydro-1,6-naphthyridin-6-yl)cyclohexan-1-ol has a molecular weight of 280.46 g/mol, XLogP of 2.20, 1 rotatable bonds, 1 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)cyclohexan-1-ol is sourced from PubChem (CID 81198795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).