2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-4,4-dimethylcyclohexan-1-amine

C18H35NO — CID 64746326

IUPAC2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1OC1CCC(C)C(C)C1
InChIInChI=1S/C18H35NO/c1-6-19-16-9-10-18(4,5)12-17(16)20-15-8-7-13(2)14(3)11-15/h13-17,19H,6-12H2,1-5H3
InChIKeyULYQIGMLNQXPGL-UHFFFAOYSA-N
MW281.48 g/mol
LogP4.38
Rot. Bonds4

About 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-4,4-dimethylcyclohexan-1-amine

2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-4,4-dimethylcyclohexan-1-amine (PubChem CID 64746326) has the molecular formula C18H35NO and a molecular weight of 281.48 g/mol. Its IUPAC name is 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-4,4-dimethylcyclohexan-1-amine.

Molecular Properties

Compound Name2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-4,4-dimethylcyclohexan-1-amine
PubChem CID64746326
Molecular FormulaC18H35NO
Molecular Weight281.48 g/mol
Exact Mass281.27
IUPAC Name2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-4,4-dimethylcyclohexan-1-amine
SMILESCCNC1CCC(C)(C)CC1OC1CCC(C)C(C)C1
InChIInChI=1S/C18H35NO/c1-6-19-16-9-10-18(4,5)12-17(16)20-15-8-7-13(2)14(3)11-15/h13-17,19H,6-12H2,1-5H3
InChIKeyULYQIGMLNQXPGL-UHFFFAOYSA-N
XLogP4.38
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.48
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-4,4-dimethylcyclohexan-1-amine?
The IUPAC name of 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-4,4-dimethylcyclohexan-1-amine (CID 64746326) is 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-4,4-dimethylcyclohexan-1-amine.
What is the SMILES notation for 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-4,4-dimethylcyclohexan-1-amine?
The canonical SMILES for 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-4,4-dimethylcyclohexan-1-amine is CCNC1CCC(C)(C)CC1OC1CCC(C)C(C)C1.
What is the InChIKey of 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-4,4-dimethylcyclohexan-1-amine?
The InChIKey is ULYQIGMLNQXPGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35NO/c1-6-19-16-9-10-18(4,5)12-17(16)20-15-8-7-13(2)14(3)11-15/h13-17,19H,6-12H2,1-5H3.
What are the key properties of 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-4,4-dimethylcyclohexan-1-amine?
2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-4,4-dimethylcyclohexan-1-amine has a molecular weight of 281.48 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylcyclohexyl)oxy-N-ethyl-4,4-dimethylcyclohexan-1-amine is sourced from PubChem (CID 64746326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).