[4-[1-(4-ethylcyclohexyl)oxyethoxy]cyclohexyl]methanamine

C17H33NO2 — CID 161018481

IUPAC[4-[1-(4-ethylcyclohexyl)oxyethoxy]cyclohexyl]methanamine
SMILESCCC1CCC(OC(C)OC2CCC(CN)CC2)CC1
InChIInChI=1S/C17H33NO2/c1-3-14-4-8-16(9-5-14)19-13(2)20-17-10-6-15(12-18)7-11-17/h13-17H,3-12,18H2,1-2H3
InChIKeyHJIHLVWCZOKKFQ-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.85
Rot. Bonds6

About [4-[1-(4-ethylcyclohexyl)oxyethoxy]cyclohexyl]methanamine

[4-[1-(4-ethylcyclohexyl)oxyethoxy]cyclohexyl]methanamine (PubChem CID 161018481) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is [4-[1-(4-ethylcyclohexyl)oxyethoxy]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[1-(4-ethylcyclohexyl)oxyethoxy]cyclohexyl]methanamine
PubChem CID161018481
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name[4-[1-(4-ethylcyclohexyl)oxyethoxy]cyclohexyl]methanamine
SMILESCCC1CCC(OC(C)OC2CCC(CN)CC2)CC1
InChIInChI=1S/C17H33NO2/c1-3-14-4-8-16(9-5-14)19-13(2)20-17-10-6-15(12-18)7-11-17/h13-17H,3-12,18H2,1-2H3
InChIKeyHJIHLVWCZOKKFQ-UHFFFAOYSA-N
XLogP3.85
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.85
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-[1-(4-ethylcyclohexyl)oxyethoxy]cyclohexyl]methanamine?
The IUPAC name of [4-[1-(4-ethylcyclohexyl)oxyethoxy]cyclohexyl]methanamine (CID 161018481) is [4-[1-(4-ethylcyclohexyl)oxyethoxy]cyclohexyl]methanamine.
What is the SMILES notation for [4-[1-(4-ethylcyclohexyl)oxyethoxy]cyclohexyl]methanamine?
The canonical SMILES for [4-[1-(4-ethylcyclohexyl)oxyethoxy]cyclohexyl]methanamine is CCC1CCC(OC(C)OC2CCC(CN)CC2)CC1.
What is the InChIKey of [4-[1-(4-ethylcyclohexyl)oxyethoxy]cyclohexyl]methanamine?
The InChIKey is HJIHLVWCZOKKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-3-14-4-8-16(9-5-14)19-13(2)20-17-10-6-15(12-18)7-11-17/h13-17H,3-12,18H2,1-2H3.
What are the key properties of [4-[1-(4-ethylcyclohexyl)oxyethoxy]cyclohexyl]methanamine?
[4-[1-(4-ethylcyclohexyl)oxyethoxy]cyclohexyl]methanamine has a molecular weight of 283.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-(4-ethylcyclohexyl)oxyethoxy]cyclohexyl]methanamine is sourced from PubChem (CID 161018481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).