4-[(4-methylcyclohexyl)oxymethoxy]cyclohexan-1-amine

C14H27NO2 — CID 161018480

IUPAC4-[(4-methylcyclohexyl)oxymethoxy]cyclohexan-1-amine
SMILESCC1CCC(OCOC2CCC(N)CC2)CC1
InChIInChI=1S/C14H27NO2/c1-11-2-6-13(7-3-11)16-10-17-14-8-4-12(15)5-9-14/h11-14H,2-10,15H2,1H3
InChIKeyLSQKHEUWYSLYOE-UHFFFAOYSA-N
MW241.37 g/mol
LogP2.83
Rot. Bonds4

About 4-[(4-methylcyclohexyl)oxymethoxy]cyclohexan-1-amine

4-[(4-methylcyclohexyl)oxymethoxy]cyclohexan-1-amine (PubChem CID 161018480) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 4-[(4-methylcyclohexyl)oxymethoxy]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[(4-methylcyclohexyl)oxymethoxy]cyclohexan-1-amine
PubChem CID161018480
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name4-[(4-methylcyclohexyl)oxymethoxy]cyclohexan-1-amine
SMILESCC1CCC(OCOC2CCC(N)CC2)CC1
InChIInChI=1S/C14H27NO2/c1-11-2-6-13(7-3-11)16-10-17-14-8-4-12(15)5-9-14/h11-14H,2-10,15H2,1H3
InChIKeyLSQKHEUWYSLYOE-UHFFFAOYSA-N
XLogP2.83
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
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 4-[(4-methylcyclohexyl)oxymethoxy]cyclohexan-1-amine?
The IUPAC name of 4-[(4-methylcyclohexyl)oxymethoxy]cyclohexan-1-amine (CID 161018480) is 4-[(4-methylcyclohexyl)oxymethoxy]cyclohexan-1-amine.
What is the SMILES notation for 4-[(4-methylcyclohexyl)oxymethoxy]cyclohexan-1-amine?
The canonical SMILES for 4-[(4-methylcyclohexyl)oxymethoxy]cyclohexan-1-amine is CC1CCC(OCOC2CCC(N)CC2)CC1.
What is the InChIKey of 4-[(4-methylcyclohexyl)oxymethoxy]cyclohexan-1-amine?
The InChIKey is LSQKHEUWYSLYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-11-2-6-13(7-3-11)16-10-17-14-8-4-12(15)5-9-14/h11-14H,2-10,15H2,1H3.
What are the key properties of 4-[(4-methylcyclohexyl)oxymethoxy]cyclohexan-1-amine?
4-[(4-methylcyclohexyl)oxymethoxy]cyclohexan-1-amine has a molecular weight of 241.37 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylcyclohexyl)oxymethoxy]cyclohexan-1-amine is sourced from PubChem (CID 161018480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).