2-(2-cyclobutylethoxy)-N-ethyl-4-methylcyclohexan-1-amine

C15H29NO — CID 114157425

IUPAC2-(2-cyclobutylethoxy)-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1OCCC1CCC1
InChIInChI=1S/C15H29NO/c1-3-16-14-8-7-12(2)11-15(14)17-10-9-13-5-4-6-13/h12-16H,3-11H2,1-2H3
InChIKeyZJKLIWNZIGNNLL-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds6

About 2-(2-cyclobutylethoxy)-N-ethyl-4-methylcyclohexan-1-amine

2-(2-cyclobutylethoxy)-N-ethyl-4-methylcyclohexan-1-amine (PubChem CID 114157425) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is 2-(2-cyclobutylethoxy)-N-ethyl-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(2-cyclobutylethoxy)-N-ethyl-4-methylcyclohexan-1-amine
PubChem CID114157425
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC Name2-(2-cyclobutylethoxy)-N-ethyl-4-methylcyclohexan-1-amine
SMILESCCNC1CCC(C)CC1OCCC1CCC1
InChIInChI=1S/C15H29NO/c1-3-16-14-8-7-12(2)11-15(14)17-10-9-13-5-4-6-13/h12-16H,3-11H2,1-2H3
InChIKeyZJKLIWNZIGNNLL-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-cyclobutylethoxy)-N-ethyl-4-methylcyclohexan-1-amine?
The IUPAC name of 2-(2-cyclobutylethoxy)-N-ethyl-4-methylcyclohexan-1-amine (CID 114157425) is 2-(2-cyclobutylethoxy)-N-ethyl-4-methylcyclohexan-1-amine.
What is the SMILES notation for 2-(2-cyclobutylethoxy)-N-ethyl-4-methylcyclohexan-1-amine?
The canonical SMILES for 2-(2-cyclobutylethoxy)-N-ethyl-4-methylcyclohexan-1-amine is CCNC1CCC(C)CC1OCCC1CCC1.
What is the InChIKey of 2-(2-cyclobutylethoxy)-N-ethyl-4-methylcyclohexan-1-amine?
The InChIKey is ZJKLIWNZIGNNLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-3-16-14-8-7-12(2)11-15(14)17-10-9-13-5-4-6-13/h12-16H,3-11H2,1-2H3.
What are the key properties of 2-(2-cyclobutylethoxy)-N-ethyl-4-methylcyclohexan-1-amine?
2-(2-cyclobutylethoxy)-N-ethyl-4-methylcyclohexan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-cyclobutylethoxy)-N-ethyl-4-methylcyclohexan-1-amine is sourced from PubChem (CID 114157425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).