2-methyl-6-(4-methylcyclohexyl)-3-propoxycyclohexan-1-amine

C17H33NO — CID 137428472

IUPAC2-methyl-6-(4-methylcyclohexyl)-3-propoxycyclohexan-1-amine
SMILESCCCOC1CCC(C2CCC(C)CC2)C(N)C1C
InChIInChI=1S/C17H33NO/c1-4-11-19-16-10-9-15(17(18)13(16)3)14-7-5-12(2)6-8-14/h12-17H,4-11,18H2,1-3H3
InChIKeyOCMVTLLRIUIVOB-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.98
Rot. Bonds4

About 2-methyl-6-(4-methylcyclohexyl)-3-propoxycyclohexan-1-amine

2-methyl-6-(4-methylcyclohexyl)-3-propoxycyclohexan-1-amine (PubChem CID 137428472) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-methyl-6-(4-methylcyclohexyl)-3-propoxycyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-6-(4-methylcyclohexyl)-3-propoxycyclohexan-1-amine
PubChem CID137428472
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-methyl-6-(4-methylcyclohexyl)-3-propoxycyclohexan-1-amine
SMILESCCCOC1CCC(C2CCC(C)CC2)C(N)C1C
InChIInChI=1S/C17H33NO/c1-4-11-19-16-10-9-15(17(18)13(16)3)14-7-5-12(2)6-8-14/h12-17H,4-11,18H2,1-3H3
InChIKeyOCMVTLLRIUIVOB-UHFFFAOYSA-N
XLogP3.98
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylcyclohexyl)-3-propoxycyclohexan-1-amine?
The IUPAC name of 2-methyl-6-(4-methylcyclohexyl)-3-propoxycyclohexan-1-amine (CID 137428472) is 2-methyl-6-(4-methylcyclohexyl)-3-propoxycyclohexan-1-amine.
What is the SMILES notation for 2-methyl-6-(4-methylcyclohexyl)-3-propoxycyclohexan-1-amine?
The canonical SMILES for 2-methyl-6-(4-methylcyclohexyl)-3-propoxycyclohexan-1-amine is CCCOC1CCC(C2CCC(C)CC2)C(N)C1C.
What is the InChIKey of 2-methyl-6-(4-methylcyclohexyl)-3-propoxycyclohexan-1-amine?
The InChIKey is OCMVTLLRIUIVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-4-11-19-16-10-9-15(17(18)13(16)3)14-7-5-12(2)6-8-14/h12-17H,4-11,18H2,1-3H3.
What are the key properties of 2-methyl-6-(4-methylcyclohexyl)-3-propoxycyclohexan-1-amine?
2-methyl-6-(4-methylcyclohexyl)-3-propoxycyclohexan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylcyclohexyl)-3-propoxycyclohexan-1-amine is sourced from PubChem (CID 137428472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).