3-(3,3-dimethylbutoxy)-N,2-diethyl-2-methylcyclobutan-1-amine

C15H31NO — CID 66351618

IUPAC3-(3,3-dimethylbutoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
SMILESCCNC1CC(OCCC(C)(C)C)C1(C)CC
InChIInChI=1S/C15H31NO/c1-7-15(6)12(16-8-2)11-13(15)17-10-9-14(3,4)5/h12-13,16H,7-11H2,1-6H3
InChIKeyXZPKOQNETCIBEK-UHFFFAOYSA-N
MW241.42 g/mol
LogP3.61
Rot. Bonds6

About 3-(3,3-dimethylbutoxy)-N,2-diethyl-2-methylcyclobutan-1-amine

3-(3,3-dimethylbutoxy)-N,2-diethyl-2-methylcyclobutan-1-amine (PubChem CID 66351618) has the molecular formula C15H31NO and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-(3,3-dimethylbutoxy)-N,2-diethyl-2-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,3-dimethylbutoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
PubChem CID66351618
Molecular FormulaC15H31NO
Molecular Weight241.42 g/mol
Exact Mass241.24
IUPAC Name3-(3,3-dimethylbutoxy)-N,2-diethyl-2-methylcyclobutan-1-amine
SMILESCCNC1CC(OCCC(C)(C)C)C1(C)CC
InChIInChI=1S/C15H31NO/c1-7-15(6)12(16-8-2)11-13(15)17-10-9-14(3,4)5/h12-13,16H,7-11H2,1-6H3
InChIKeyXZPKOQNETCIBEK-UHFFFAOYSA-N
XLogP3.61
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-dimethylbutoxy)-N,2-diethyl-2-methylcyclobutan-1-amine?
The IUPAC name of 3-(3,3-dimethylbutoxy)-N,2-diethyl-2-methylcyclobutan-1-amine (CID 66351618) is 3-(3,3-dimethylbutoxy)-N,2-diethyl-2-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,3-dimethylbutoxy)-N,2-diethyl-2-methylcyclobutan-1-amine?
The canonical SMILES for 3-(3,3-dimethylbutoxy)-N,2-diethyl-2-methylcyclobutan-1-amine is CCNC1CC(OCCC(C)(C)C)C1(C)CC.
What is the InChIKey of 3-(3,3-dimethylbutoxy)-N,2-diethyl-2-methylcyclobutan-1-amine?
The InChIKey is XZPKOQNETCIBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H31NO/c1-7-15(6)12(16-8-2)11-13(15)17-10-9-14(3,4)5/h12-13,16H,7-11H2,1-6H3.
What are the key properties of 3-(3,3-dimethylbutoxy)-N,2-diethyl-2-methylcyclobutan-1-amine?
3-(3,3-dimethylbutoxy)-N,2-diethyl-2-methylcyclobutan-1-amine has a molecular weight of 241.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-dimethylbutoxy)-N,2-diethyl-2-methylcyclobutan-1-amine is sourced from PubChem (CID 66351618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).