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

C13H25NO — CID 66351383

IUPAC3-(3,5-dimethylcyclohexyl)oxy-N-methylcyclobutan-1-amine
SMILESCNC1CC(OC2CC(C)CC(C)C2)C1
InChIInChI=1S/C13H25NO/c1-9-4-10(2)6-12(5-9)15-13-7-11(8-13)14-3/h9-14H,4-8H2,1-3H3
InChIKeyCLZMGFQEFPBMFB-UHFFFAOYSA-N
MW211.35 g/mol
LogP2.58
Rot. Bonds3

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

3-(3,5-dimethylcyclohexyl)oxy-N-methylcyclobutan-1-amine (PubChem CID 66351383) has the molecular formula C13H25NO and a molecular weight of 211.35 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexyl)oxy-N-methylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexyl)oxy-N-methylcyclobutan-1-amine
PubChem CID66351383
Molecular FormulaC13H25NO
Molecular Weight211.35 g/mol
Exact Mass211.19
IUPAC Name3-(3,5-dimethylcyclohexyl)oxy-N-methylcyclobutan-1-amine
SMILESCNC1CC(OC2CC(C)CC(C)C2)C1
InChIInChI=1S/C13H25NO/c1-9-4-10(2)6-12(5-9)15-13-7-11(8-13)14-3/h9-14H,4-8H2,1-3H3
InChIKeyCLZMGFQEFPBMFB-UHFFFAOYSA-N
XLogP2.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.35
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S,3R,5R)-3-methoxy-N,5-dimethylcyclohexan-1-amine
CID 143150213
3-cyclobutyloxy-N-methylcyclobutan-1-amine
CID 66350250
2-(3,5-dimethylcyclohexyl)oxy-N-methylcyclohexan-1-amine
CID 64728780
3-(3,5-dimethylcyclohexyl)oxy-8-azabicyclo[3.2.1]octane
CID 114199641
3,5-dimethyl-N-(3-methylcyclobutyl)cyclohexan-1-amine
CID 115751638
3-(3,5-dimethylcyclohexyl)oxy-N-methylspiro[3.5]nonan-1-amine
CID 66351605
3-ethyl-N,5-dimethylcyclohexan-1-amine
CID 143338099
N-ethyl-3-(3,3,5-trimethylcyclohexyl)oxycyclobutan-1-amine
CID 66357222
methane;N-methyl-3-[(2-methylpropan-2-yl)oxy]cyclobutan-1-amine
CID 158877825
3-fluoro-N-methylcyclobutan-1-amine
CID 84715977
N-methyl-2-(3-methylcyclohexyl)oxycyclohexan-1-amine
CID 55209037
3,5-dimethyl-N-propan-2-ylcyclohexan-1-amine
CID 21034318

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylcyclohexyl)oxy-N-methylcyclobutan-1-amine?
The IUPAC name of 3-(3,5-dimethylcyclohexyl)oxy-N-methylcyclobutan-1-amine (CID 66351383) is 3-(3,5-dimethylcyclohexyl)oxy-N-methylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylcyclohexyl)oxy-N-methylcyclobutan-1-amine?
The canonical SMILES for 3-(3,5-dimethylcyclohexyl)oxy-N-methylcyclobutan-1-amine is CNC1CC(OC2CC(C)CC(C)C2)C1.
What is the InChIKey of 3-(3,5-dimethylcyclohexyl)oxy-N-methylcyclobutan-1-amine?
The InChIKey is CLZMGFQEFPBMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO/c1-9-4-10(2)6-12(5-9)15-13-7-11(8-13)14-3/h9-14H,4-8H2,1-3H3.
What are the key properties of 3-(3,5-dimethylcyclohexyl)oxy-N-methylcyclobutan-1-amine?
3-(3,5-dimethylcyclohexyl)oxy-N-methylcyclobutan-1-amine has a molecular weight of 211.35 g/mol, XLogP of 2.58, 3 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-methylcyclobutan-1-amine is sourced from PubChem (CID 66351383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).