2-[amino-(2-methylcyclohexyl)oxymethyl]cyclohexan-1-ol

C14H27NO2 — CID 90078523

IUPAC2-[amino-(2-methylcyclohexyl)oxymethyl]cyclohexan-1-ol
SMILESCC1CCCCC1OC(N)C1CCCCC1O
InChIInChI=1S/C14H27NO2/c1-10-6-2-5-9-13(10)17-14(15)11-7-3-4-8-12(11)16/h10-14,16H,2-9,15H2,1H3
InChIKeyNLKAFOXSMLSWLD-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.42
Rot. Bonds3

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

2-[amino-(2-methylcyclohexyl)oxymethyl]cyclohexan-1-ol (PubChem CID 90078523) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-[amino-(2-methylcyclohexyl)oxymethyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[amino-(2-methylcyclohexyl)oxymethyl]cyclohexan-1-ol
PubChem CID90078523
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-[amino-(2-methylcyclohexyl)oxymethyl]cyclohexan-1-ol
SMILESCC1CCCCC1OC(N)C1CCCCC1O
InChIInChI=1S/C14H27NO2/c1-10-6-2-5-9-13(10)17-14(15)11-7-3-4-8-12(11)16/h10-14,16H,2-9,15H2,1H3
InChIKeyNLKAFOXSMLSWLD-UHFFFAOYSA-N
XLogP2.42
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[amino-(2-methylcyclohexyl)oxymethyl]cyclohexan-1-ol?
The IUPAC name of 2-[amino-(2-methylcyclohexyl)oxymethyl]cyclohexan-1-ol (CID 90078523) is 2-[amino-(2-methylcyclohexyl)oxymethyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[amino-(2-methylcyclohexyl)oxymethyl]cyclohexan-1-ol?
The canonical SMILES for 2-[amino-(2-methylcyclohexyl)oxymethyl]cyclohexan-1-ol is CC1CCCCC1OC(N)C1CCCCC1O.
What is the InChIKey of 2-[amino-(2-methylcyclohexyl)oxymethyl]cyclohexan-1-ol?
The InChIKey is NLKAFOXSMLSWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-10-6-2-5-9-13(10)17-14(15)11-7-3-4-8-12(11)16/h10-14,16H,2-9,15H2,1H3.
What are the key properties of 2-[amino-(2-methylcyclohexyl)oxymethyl]cyclohexan-1-ol?
2-[amino-(2-methylcyclohexyl)oxymethyl]cyclohexan-1-ol has a molecular weight of 241.37 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[amino-(2-methylcyclohexyl)oxymethyl]cyclohexan-1-ol is sourced from PubChem (CID 90078523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).