4-[(3-methylcyclohexyl)amino]cyclohexan-1-ol

C13H25NO — CID 5153173

IUPAC4-[(3-methylcyclohexyl)amino]cyclohexan-1-ol
SMILESCC1CCCC(NC2CCC(O)CC2)C1
InChIInChI=1S/C13H25NO/c1-10-3-2-4-12(9-10)14-11-5-7-13(15)8-6-11/h10-15H,2-9H2,1H3
InChIKeyXVLCYWYVUCOLBO-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.46
Rot. Bonds2

About 4-[(3-methylcyclohexyl)amino]cyclohexan-1-ol

4-[(3-methylcyclohexyl)amino]cyclohexan-1-ol (PubChem CID 5153173) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 4-[(3-methylcyclohexyl)amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[(3-methylcyclohexyl)amino]cyclohexan-1-ol
PubChem CID5153173
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name4-[(3-methylcyclohexyl)amino]cyclohexan-1-ol
SMILESCC1CCCC(NC2CCC(O)CC2)C1
InChIInChI=1S/C13H25NO/c1-10-3-2-4-12(9-10)14-11-5-7-13(15)8-6-11/h10-15H,2-9H2,1H3
InChIKeyXVLCYWYVUCOLBO-UHFFFAOYSA-N
XLogP2.46
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylcyclohexyl)amino]cyclohexan-1-ol?
The IUPAC name of 4-[(3-methylcyclohexyl)amino]cyclohexan-1-ol (CID 5153173) is 4-[(3-methylcyclohexyl)amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[(3-methylcyclohexyl)amino]cyclohexan-1-ol?
The canonical SMILES for 4-[(3-methylcyclohexyl)amino]cyclohexan-1-ol is CC1CCCC(NC2CCC(O)CC2)C1.
What is the InChIKey of 4-[(3-methylcyclohexyl)amino]cyclohexan-1-ol?
The InChIKey is XVLCYWYVUCOLBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-10-3-2-4-12(9-10)14-11-5-7-13(15)8-6-11/h10-15H,2-9H2,1H3.
What are the key properties of 4-[(3-methylcyclohexyl)amino]cyclohexan-1-ol?
4-[(3-methylcyclohexyl)amino]cyclohexan-1-ol has a molecular weight of 211.35 g/mol, XLogP of 2.46, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylcyclohexyl)amino]cyclohexan-1-ol is sourced from PubChem (CID 5153173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).