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

C11H23NO — CID 61437400

IUPAC1-[methyl-(4-methylcyclohexyl)amino]propan-2-ol
SMILESCC(O)CN(C)C1CCC(C)CC1
InChIInChI=1S/C11H23NO/c1-9-4-6-11(7-5-9)12(3)8-10(2)13/h9-11,13H,4-8H2,1-3H3
InChIKeyOWRXVAKISDRNAI-UHFFFAOYSA-N
MW185.31 g/mol
LogP1.88
Rot. Bonds3

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

1-[methyl-(4-methylcyclohexyl)amino]propan-2-ol (PubChem CID 61437400) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-[methyl-(4-methylcyclohexyl)amino]propan-2-ol.

Molecular Properties

Compound Name1-[methyl-(4-methylcyclohexyl)amino]propan-2-ol
PubChem CID61437400
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-[methyl-(4-methylcyclohexyl)amino]propan-2-ol
SMILESCC(O)CN(C)C1CCC(C)CC1
InChIInChI=1S/C11H23NO/c1-9-4-6-11(7-5-9)12(3)8-10(2)13/h9-11,13H,4-8H2,1-3H3
InChIKeyOWRXVAKISDRNAI-UHFFFAOYSA-N
XLogP1.88
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[methyl-(4-methylcyclohexyl)amino]propan-2-ol?
The IUPAC name of 1-[methyl-(4-methylcyclohexyl)amino]propan-2-ol (CID 61437400) is 1-[methyl-(4-methylcyclohexyl)amino]propan-2-ol.
What is the SMILES notation for 1-[methyl-(4-methylcyclohexyl)amino]propan-2-ol?
The canonical SMILES for 1-[methyl-(4-methylcyclohexyl)amino]propan-2-ol is CC(O)CN(C)C1CCC(C)CC1.
What is the InChIKey of 1-[methyl-(4-methylcyclohexyl)amino]propan-2-ol?
The InChIKey is OWRXVAKISDRNAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-9-4-6-11(7-5-9)12(3)8-10(2)13/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 1-[methyl-(4-methylcyclohexyl)amino]propan-2-ol?
1-[methyl-(4-methylcyclohexyl)amino]propan-2-ol has a molecular weight of 185.31 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[methyl-(4-methylcyclohexyl)amino]propan-2-ol is sourced from PubChem (CID 61437400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).