[1-(cyclohexylamino)-4-methylcyclohexyl]methanol

C14H27NO — CID 61047300

IUPAC[1-(cyclohexylamino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NC2CCCCC2)CC1
InChIInChI=1S/C14H27NO/c1-12-7-9-14(11-16,10-8-12)15-13-5-3-2-4-6-13/h12-13,15-16H,2-11H2,1H3
InChIKeyNWGMBCPTKLVIJX-UHFFFAOYSA-N
MW225.38 g/mol
LogP2.85
Rot. Bonds3

About [1-(cyclohexylamino)-4-methylcyclohexyl]methanol

[1-(cyclohexylamino)-4-methylcyclohexyl]methanol (PubChem CID 61047300) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is [1-(cyclohexylamino)-4-methylcyclohexyl]methanol.

Molecular Properties

Compound Name[1-(cyclohexylamino)-4-methylcyclohexyl]methanol
PubChem CID61047300
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name[1-(cyclohexylamino)-4-methylcyclohexyl]methanol
SMILESCC1CCC(CO)(NC2CCCCC2)CC1
InChIInChI=1S/C14H27NO/c1-12-7-9-14(11-16,10-8-12)15-13-5-3-2-4-6-13/h12-13,15-16H,2-11H2,1H3
InChIKeyNWGMBCPTKLVIJX-UHFFFAOYSA-N
XLogP2.85
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [1-(cyclohexylamino)-4-methylcyclohexyl]methanol?
The IUPAC name of [1-(cyclohexylamino)-4-methylcyclohexyl]methanol (CID 61047300) is [1-(cyclohexylamino)-4-methylcyclohexyl]methanol.
What is the SMILES notation for [1-(cyclohexylamino)-4-methylcyclohexyl]methanol?
The canonical SMILES for [1-(cyclohexylamino)-4-methylcyclohexyl]methanol is CC1CCC(CO)(NC2CCCCC2)CC1.
What is the InChIKey of [1-(cyclohexylamino)-4-methylcyclohexyl]methanol?
The InChIKey is NWGMBCPTKLVIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-12-7-9-14(11-16,10-8-12)15-13-5-3-2-4-6-13/h12-13,15-16H,2-11H2,1H3.
What are the key properties of [1-(cyclohexylamino)-4-methylcyclohexyl]methanol?
[1-(cyclohexylamino)-4-methylcyclohexyl]methanol has a molecular weight of 225.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(cyclohexylamino)-4-methylcyclohexyl]methanol is sourced from PubChem (CID 61047300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).