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

C15H29NO — CID 66359818

IUPACN-ethyl-2,2-dimethyl-3-(2-methylcyclohexyl)oxycyclobutan-1-amine
SMILESCCNC1CC(OC2CCCCC2C)C1(C)C
InChIInChI=1S/C15H29NO/c1-5-16-13-10-14(15(13,3)4)17-12-9-7-6-8-11(12)2/h11-14,16H,5-10H2,1-4H3
InChIKeyMAHJSMFRQPKJDI-UHFFFAOYSA-N
MW239.40 g/mol
LogP3.36
Rot. Bonds4

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

N-ethyl-2,2-dimethyl-3-(2-methylcyclohexyl)oxycyclobutan-1-amine (PubChem CID 66359818) has the molecular formula C15H29NO and a molecular weight of 239.40 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-(2-methylcyclohexyl)oxycyclobutan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-(2-methylcyclohexyl)oxycyclobutan-1-amine
PubChem CID66359818
Molecular FormulaC15H29NO
Molecular Weight239.40 g/mol
Exact Mass239.22
IUPAC NameN-ethyl-2,2-dimethyl-3-(2-methylcyclohexyl)oxycyclobutan-1-amine
SMILESCCNC1CC(OC2CCCCC2C)C1(C)C
InChIInChI=1S/C15H29NO/c1-5-16-13-10-14(15(13,3)4)17-12-9-7-6-8-11(12)2/h11-14,16H,5-10H2,1-4H3
InChIKeyMAHJSMFRQPKJDI-UHFFFAOYSA-N
XLogP3.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.40
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-(2-methylcyclohexyl)oxycyclobutan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-(2-methylcyclohexyl)oxycyclobutan-1-amine (CID 66359818) is N-ethyl-2,2-dimethyl-3-(2-methylcyclohexyl)oxycyclobutan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-(2-methylcyclohexyl)oxycyclobutan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-(2-methylcyclohexyl)oxycyclobutan-1-amine is CCNC1CC(OC2CCCCC2C)C1(C)C.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-(2-methylcyclohexyl)oxycyclobutan-1-amine?
The InChIKey is MAHJSMFRQPKJDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO/c1-5-16-13-10-14(15(13,3)4)17-12-9-7-6-8-11(12)2/h11-14,16H,5-10H2,1-4H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-(2-methylcyclohexyl)oxycyclobutan-1-amine?
N-ethyl-2,2-dimethyl-3-(2-methylcyclohexyl)oxycyclobutan-1-amine has a molecular weight of 239.40 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-(2-methylcyclohexyl)oxycyclobutan-1-amine is sourced from PubChem (CID 66359818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).