3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine

C16H31NO2 — CID 114342843

IUPAC3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC2CCC(C)(C)CC2)C1OC
InChIInChI=1S/C16H31NO2/c1-5-10-17-13-11-14(15(13)18-4)19-12-6-8-16(2,3)9-7-12/h12-15,17H,5-11H2,1-4H3
InChIKeyKQIXWXSXGAQLCN-UHFFFAOYSA-N
MW269.43 g/mol
LogP3.13
Rot. Bonds6

About 3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine

3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine (PubChem CID 114342843) has the molecular formula C16H31NO2 and a molecular weight of 269.43 g/mol. Its IUPAC name is 3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine
PubChem CID114342843
Molecular FormulaC16H31NO2
Molecular Weight269.43 g/mol
Exact Mass269.24
IUPAC Name3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC2CCC(C)(C)CC2)C1OC
InChIInChI=1S/C16H31NO2/c1-5-10-17-13-11-14(15(13)18-4)19-12-6-8-16(2,3)9-7-12/h12-15,17H,5-11H2,1-4H3
InChIKeyKQIXWXSXGAQLCN-UHFFFAOYSA-N
XLogP3.13
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 ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-cyclohexyloxy-2-methoxy-N-propylcyclobutan-1-amine
CID 104674423
3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine
CID 104674893
2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine
CID 104674594
4-(3-chloro-2-methoxycyclobutyl)oxy-1,1-dimethylcyclohexane
CID 114342820
3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943605
3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine
CID 104674725
3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674990
2,4,4-trimethyl-N-propylcyclohexan-1-amine
CID 81308091
2-(4,4-dimethylcyclohexyl)oxy-N-ethylcycloheptan-1-amine
CID 114340804
5-cyclobutyloxy-2,2-dimethyl-N-propylcyclopentan-1-amine
CID 79856523
3-(oxolan-3-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 114019019
4-(3-chloro-2-ethoxycyclobutyl)oxy-1,1-dimethylcyclohexane
CID 114342826

Frequently Asked Questions

What is the IUPAC name of 3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine?
The IUPAC name of 3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine (CID 114342843) is 3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine is CCCNC1CC(OC2CCC(C)(C)CC2)C1OC.
What is the InChIKey of 3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine?
The InChIKey is KQIXWXSXGAQLCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31NO2/c1-5-10-17-13-11-14(15(13)18-4)19-12-6-8-16(2,3)9-7-12/h12-15,17H,5-11H2,1-4H3.
What are the key properties of 3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine?
3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine has a molecular weight of 269.43 g/mol, XLogP of 3.13, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 114342843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).