3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine

C16H31NO2 — CID 104674893

IUPAC3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC2CC(C)CC(C)C2)C1OC
InChIInChI=1S/C16H31NO2/c1-5-6-17-14-10-15(16(14)18-4)19-13-8-11(2)7-12(3)9-13/h11-17H,5-10H2,1-4H3
InChIKeyMTWCLVHPOHSLLJ-UHFFFAOYSA-N
MW269.43 g/mol
LogP2.98
Rot. Bonds6

About 3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine

3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine (PubChem CID 104674893) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine
PubChem CID104674893
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC2CC(C)CC(C)C2)C1OC
InChIInChI=1S/C16H31NO2/c1-5-6-17-14-10-15(16(14)18-4)19-13-8-11(2)7-12(3)9-13/h11-17H,5-10H2,1-4H3
InChIKeyMTWCLVHPOHSLLJ-UHFFFAOYSA-N
XLogP2.98
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine
CID 104674594
3-cyclohexyloxy-2-methoxy-N-propylcyclobutan-1-amine
CID 104674423
3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine
CID 114342843
3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine
CID 104674725
3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674990
2-cyclobutyloxy-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64752391
3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943605
3-(4-chloro-3,5-dimethylphenoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674643
3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 114019019
2-methoxy-3-[(4-methoxyphenyl)methoxy]-N-propylcyclobutan-1-amine
CID 104674532
2-(3,5-dimethylcyclohexyl)-N-propylcyclohexan-1-amine
CID 64730144
2-(4-methoxypiperidin-1-yl)-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64725027

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine (CID 104674893) is 3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine is CCCNC1CC(OC2CC(C)CC(C)C2)C1OC.
What is the InChIKey of 3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine?
The InChIKey is MTWCLVHPOHSLLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-6-17-14-10-15(16(14)18-4)19-13-8-11(2)7-12(3)9-13/h11-17H,5-10H2,1-4H3.
What are the key properties of 3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine?
3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 2.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 104674893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).