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

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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).