3-(3,5-dimethylcyclohexyl)oxy-N,2-diethyl-2-methylcyclobutan-1-amine

C17H33NO — CID 66350516

IUPAC3-(3,5-dimethylcyclohexyl)oxy-N,2-diethyl-2-methylcyclobutan-1-amine
SMILESCCNC1CC(OC2CC(C)CC(C)C2)C1(C)CC
InChIInChI=1S/C17H33NO/c1-6-17(5)15(18-7-2)11-16(17)19-14-9-12(3)8-13(4)10-14/h12-16,18H,6-11H2,1-5H3
InChIKeyLOHCNFIQFADVEY-UHFFFAOYSA-N
MW267.46 g/mol
LogP3.99
Rot. Bonds5

About 3-(3,5-dimethylcyclohexyl)oxy-N,2-diethyl-2-methylcyclobutan-1-amine

3-(3,5-dimethylcyclohexyl)oxy-N,2-diethyl-2-methylcyclobutan-1-amine (PubChem CID 66350516) has the molecular formula C17H33NO and a molecular weight of 267.46 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexyl)oxy-N,2-diethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexyl)oxy-N,2-diethyl-2-methylcyclobutan-1-amine
PubChem CID66350516
Molecular FormulaC17H33NO
Molecular Weight267.46 g/mol
Exact Mass267.26
IUPAC Name3-(3,5-dimethylcyclohexyl)oxy-N,2-diethyl-2-methylcyclobutan-1-amine
SMILESCCNC1CC(OC2CC(C)CC(C)C2)C1(C)CC
InChIInChI=1S/C17H33NO/c1-6-17(5)15(18-7-2)11-16(17)19-14-9-12(3)8-13(4)10-14/h12-16,18H,6-11H2,1-5H3
InChIKeyLOHCNFIQFADVEY-UHFFFAOYSA-N
XLogP3.99
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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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Related Compounds

2-ethyl-N,2-dimethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
CID 66357422
3-cyclopentyloxy-2-ethyl-2-methyl-N-propylcyclobutan-1-amine
CID 66356756
N,2-diethyl-2-methyl-3-(2-methylbutan-2-yloxy)cyclobutan-1-amine
CID 66359047
3-(3,3-dimethylbutoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66351618
N,2-diethyl-3-(4-methoxyphenoxy)-2-methylcyclobutan-1-amine
CID 66358548
3-(cyclohexylmethoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66351784
3-(3,4-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66358932
N,2-diethyl-2-methyl-3-(oxan-4-ylmethoxy)cyclobutan-1-amine
CID 66350254
N-ethyl-3-(4-methylcyclohexyl)oxyspiro[3.5]nonan-1-amine
CID 66359603
3-(3,4-dichlorophenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66352641
3-(4-chloro-2,6-dimethylphenoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
CID 66357548
2-ethyl-2-methyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
CID 66357421

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylcyclohexyl)oxy-N,2-diethyl-2-methylcyclobutan-1-amine?
The IUPAC name of 3-(3,5-dimethylcyclohexyl)oxy-N,2-diethyl-2-methylcyclobutan-1-amine (CID 66350516) is 3-(3,5-dimethylcyclohexyl)oxy-N,2-diethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylcyclohexyl)oxy-N,2-diethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-(3,5-dimethylcyclohexyl)oxy-N,2-diethyl-2-methylcyclobutan-1-amine is CCNC1CC(OC2CC(C)CC(C)C2)C1(C)CC.
What is the InChIKey of 3-(3,5-dimethylcyclohexyl)oxy-N,2-diethyl-2-methylcyclobutan-1-amine?
The InChIKey is LOHCNFIQFADVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO/c1-6-17(5)15(18-7-2)11-16(17)19-14-9-12(3)8-13(4)10-14/h12-16,18H,6-11H2,1-5H3.
What are the key properties of 3-(3,5-dimethylcyclohexyl)oxy-N,2-diethyl-2-methylcyclobutan-1-amine?
3-(3,5-dimethylcyclohexyl)oxy-N,2-diethyl-2-methylcyclobutan-1-amine has a molecular weight of 267.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylcyclohexyl)oxy-N,2-diethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 66350516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).