1-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-4-methylazepan-4-ol

C17H34N2O — CID 107408673

IUPAC1-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-4-methylazepan-4-ol
SMILESCNC1CC(C)CC(C)C1CN1CCCC(C)(O)CC1
InChIInChI=1S/C17H34N2O/c1-13-10-14(2)15(16(11-13)18-4)12-19-8-5-6-17(3,20)7-9-19/h13-16,18,20H,5-12H2,1-4H3
InChIKeyLKGGKPZXQXERIA-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.49
Rot. Bonds3

About 1-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-4-methylazepan-4-ol

1-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-4-methylazepan-4-ol (PubChem CID 107408673) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 1-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-4-methylazepan-4-ol.

Molecular Properties

Compound Name1-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-4-methylazepan-4-ol
PubChem CID107408673
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name1-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-4-methylazepan-4-ol
SMILESCNC1CC(C)CC(C)C1CN1CCCC(C)(O)CC1
InChIInChI=1S/C17H34N2O/c1-13-10-14(2)15(16(11-13)18-4)12-19-8-5-6-17(3,20)7-9-19/h13-16,18,20H,5-12H2,1-4H3
InChIKeyLKGGKPZXQXERIA-UHFFFAOYSA-N
XLogP2.49
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-4-methylazepan-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,3,5-trimethyl-2-(pyrrolidin-1-ylmethyl)cyclohexan-1-amine
CID 64737195
2-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-ylmethyl)-N,3,5-trimethylcyclohexan-1-amine
CID 79945669
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-N,3,5-trimethylcyclohexan-1-amine
CID 106589038
2-(azepan-1-ylmethyl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64736211
N,3,5-trimethyl-2-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]cyclohexan-1-amine
CID 79164305
1-(3,5-dimethylcyclohexyl)-4-methylazepan-4-ol
CID 107408334
4-methyl-1-[[2-(propylamino)cyclohexyl]methyl]azepan-4-ol
CID 107408771
N-ethyl-3,5-dimethyl-2-[(3-methylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 64736016
N-ethyl-3,5-dimethyl-2-[(4-propylpiperazin-1-yl)methyl]cyclohexan-1-amine
CID 64736598
1-(cyclopropylmethyl)-4-methylpiperidin-4-ol
CID 114286475
4-methyl-1-[[5-methyl-2-(propylamino)cyclohexyl]methyl]piperidin-4-ol
CID 81116004
2-(4-hydroxy-4-methylazepan-1-yl)-N-(4-methylcyclohexyl)acetamide
CID 107407896

Frequently Asked Questions

What is the IUPAC name of 1-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-4-methylazepan-4-ol?
The IUPAC name of 1-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-4-methylazepan-4-ol (CID 107408673) is 1-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-4-methylazepan-4-ol.
What is the SMILES notation for 1-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-4-methylazepan-4-ol?
The canonical SMILES for 1-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-4-methylazepan-4-ol is CNC1CC(C)CC(C)C1CN1CCCC(C)(O)CC1.
What is the InChIKey of 1-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-4-methylazepan-4-ol?
The InChIKey is LKGGKPZXQXERIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-13-10-14(2)15(16(11-13)18-4)12-19-8-5-6-17(3,20)7-9-19/h13-16,18,20H,5-12H2,1-4H3.
What are the key properties of 1-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-4-methylazepan-4-ol?
1-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-4-methylazepan-4-ol has a molecular weight of 282.47 g/mol, XLogP of 2.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,4-dimethyl-6-(methylamino)cyclohexyl]methyl]-4-methylazepan-4-ol is sourced from PubChem (CID 107408673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).