1-(4,4-dimethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine

C17H33N — CID 65390833

IUPAC1-(4,4-dimethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCNC(C1CCC(C)(C)CC1)C1CCCC(C)C1
InChIInChI=1S/C17H33N/c1-13-6-5-7-15(12-13)16(18-4)14-8-10-17(2,3)11-9-14/h13-16,18H,5-12H2,1-4H3
InChIKeyZTSZRAOXQDVWQP-UHFFFAOYSA-N
MW251.46 g/mol
LogP4.62
Rot. Bonds3

About 1-(4,4-dimethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine

1-(4,4-dimethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine (PubChem CID 65390833) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is 1-(4,4-dimethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine.

Molecular Properties

Compound Name1-(4,4-dimethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
PubChem CID65390833
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC Name1-(4,4-dimethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine
SMILESCNC(C1CCC(C)(C)CC1)C1CCCC(C)C1
InChIInChI=1S/C17H33N/c1-13-6-5-7-15(12-13)16(18-4)14-8-10-17(2,3)11-9-14/h13-16,18H,5-12H2,1-4H3
InChIKeyZTSZRAOXQDVWQP-UHFFFAOYSA-N
XLogP4.62
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.46
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The IUPAC name of 1-(4,4-dimethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine (CID 65390833) is 1-(4,4-dimethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine.
What is the SMILES notation for 1-(4,4-dimethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The canonical SMILES for 1-(4,4-dimethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine is CNC(C1CCC(C)(C)CC1)C1CCCC(C)C1.
What is the InChIKey of 1-(4,4-dimethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
The InChIKey is ZTSZRAOXQDVWQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-13-6-5-7-15(12-13)16(18-4)14-8-10-17(2,3)11-9-14/h13-16,18H,5-12H2,1-4H3.
What are the key properties of 1-(4,4-dimethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine?
1-(4,4-dimethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine has a molecular weight of 251.46 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylcyclohexyl)-N-methyl-1-(3-methylcyclohexyl)methanamine is sourced from PubChem (CID 65390833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).