2-ethyl-N,2-dimethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine

C17H33NO — CID 66357422

IUPAC2-ethyl-N,2-dimethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C17H33NO/c1-7-17(5)14(18-6)9-15(17)19-13-8-12(2)10-16(3,4)11-13/h12-15,18H,7-11H2,1-6H3
InChIKeyFVIJEPOYMBLFAV-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.99
Rot. Bonds4

About 2-ethyl-N,2-dimethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine

2-ethyl-N,2-dimethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine (PubChem CID 66357422) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 2-ethyl-N,2-dimethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-N,2-dimethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
PubChem CID66357422
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name2-ethyl-N,2-dimethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
SMILESCCC1(C)C(NC)CC1OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C17H33NO/c1-7-17(5)14(18-6)9-15(17)19-13-8-12(2)10-16(3,4)11-13/h12-15,18H,7-11H2,1-6H3
InChIKeyFVIJEPOYMBLFAV-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.46
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N,2-dimethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine?
The IUPAC name of 2-ethyl-N,2-dimethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine (CID 66357422) is 2-ethyl-N,2-dimethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-N,2-dimethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine?
The canonical SMILES for 2-ethyl-N,2-dimethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine is CCC1(C)C(NC)CC1OC1CC(C)CC(C)(C)C1.
What is the InChIKey of 2-ethyl-N,2-dimethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine?
The InChIKey is FVIJEPOYMBLFAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-7-17(5)14(18-6)9-15(17)19-13-8-12(2)10-16(3,4)11-13/h12-15,18H,7-11H2,1-6H3.
What are the key properties of 2-ethyl-N,2-dimethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine?
2-ethyl-N,2-dimethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 3.99, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N,2-dimethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine is sourced from PubChem (CID 66357422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).