2-[methyl-(4-methylcyclohexyl)amino]cyclohexan-1-ol

C14H27NO — CID 60714732

IUPAC2-[methyl-(4-methylcyclohexyl)amino]cyclohexan-1-ol
SMILESCC1CCC(N(C)C2CCCCC2O)CC1
InChIInChI=1S/C14H27NO/c1-11-7-9-12(10-8-11)15(2)13-5-3-4-6-14(13)16/h11-14,16H,3-10H2,1-2H3
InChIKeyPSEPJCBFWHKNKP-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.80
Rot. Bonds2

About 2-[methyl-(4-methylcyclohexyl)amino]cyclohexan-1-ol

2-[methyl-(4-methylcyclohexyl)amino]cyclohexan-1-ol (PubChem CID 60714732) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 2-[methyl-(4-methylcyclohexyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[methyl-(4-methylcyclohexyl)amino]cyclohexan-1-ol
PubChem CID60714732
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name2-[methyl-(4-methylcyclohexyl)amino]cyclohexan-1-ol
SMILESCC1CCC(N(C)C2CCCCC2O)CC1
InChIInChI=1S/C14H27NO/c1-11-7-9-12(10-8-11)15(2)13-5-3-4-6-14(13)16/h11-14,16H,3-10H2,1-2H3
InChIKeyPSEPJCBFWHKNKP-UHFFFAOYSA-N
XLogP2.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(4-methylcyclohexyl)amino]cyclohexan-1-ol?
The IUPAC name of 2-[methyl-(4-methylcyclohexyl)amino]cyclohexan-1-ol (CID 60714732) is 2-[methyl-(4-methylcyclohexyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[methyl-(4-methylcyclohexyl)amino]cyclohexan-1-ol?
The canonical SMILES for 2-[methyl-(4-methylcyclohexyl)amino]cyclohexan-1-ol is CC1CCC(N(C)C2CCCCC2O)CC1.
What is the InChIKey of 2-[methyl-(4-methylcyclohexyl)amino]cyclohexan-1-ol?
The InChIKey is PSEPJCBFWHKNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-11-7-9-12(10-8-11)15(2)13-5-3-4-6-14(13)16/h11-14,16H,3-10H2,1-2H3.
What are the key properties of 2-[methyl-(4-methylcyclohexyl)amino]cyclohexan-1-ol?
2-[methyl-(4-methylcyclohexyl)amino]cyclohexan-1-ol has a molecular weight of 225.38 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(4-methylcyclohexyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 60714732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).