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

C16H31NO — CID 66357421

IUPAC2-ethyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
SMILESCCC1(C)C(N)CC1OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C16H31NO/c1-6-16(5)13(17)8-14(16)18-12-7-11(2)9-15(3,4)10-12/h11-14H,6-10,17H2,1-5H3
InChIKeyRYAPHMGYHHDTLI-UHFFFAOYSA-N
MW253.43 g/mol
LogP3.73
Rot. Bonds3

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

2-ethyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine (PubChem CID 66357421) has the molecular formula C16H31NO and a molecular weight of 253.43 g/mol. Its IUPAC name is 2-ethyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine.

Molecular Properties

Compound Name2-ethyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
PubChem CID66357421
Molecular FormulaC16H31NO
Molecular Weight253.43 g/mol
Exact Mass253.24
IUPAC Name2-ethyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
SMILESCCC1(C)C(N)CC1OC1CC(C)CC(C)(C)C1
InChIInChI=1S/C16H31NO/c1-6-16(5)13(17)8-14(16)18-12-7-11(2)9-15(3,4)10-12/h11-14H,6-10,17H2,1-5H3
InChIKeyRYAPHMGYHHDTLI-UHFFFAOYSA-N
XLogP3.73
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.43
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine?
The IUPAC name of 2-ethyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine (CID 66357421) is 2-ethyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine.
What is the SMILES notation for 2-ethyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine?
The canonical SMILES for 2-ethyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine is CCC1(C)C(N)CC1OC1CC(C)CC(C)(C)C1.
What is the InChIKey of 2-ethyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine?
The InChIKey is RYAPHMGYHHDTLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO/c1-6-16(5)13(17)8-14(16)18-12-7-11(2)9-15(3,4)10-12/h11-14H,6-10,17H2,1-5H3.
What are the key properties of 2-ethyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine?
2-ethyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine has a molecular weight of 253.43 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine is sourced from PubChem (CID 66357421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).