2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine

C15H29NO2 — CID 104674594

IUPAC2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC2CCCC(C)C2)C1OC
InChIInChI=1S/C15H29NO2/c1-4-8-16-13-10-14(15(13)17-3)18-12-7-5-6-11(2)9-12/h11-16H,4-10H2,1-3H3
InChIKeyDAUGECFMQMPFAT-UHFFFAOYSA-N
MW255.40 g/mol
LogP2.74
Rot. Bonds6

About 2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine

2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine (PubChem CID 104674594) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine.

Molecular Properties

Compound Name2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine
PubChem CID104674594
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine
SMILESCCCNC1CC(OC2CCCC(C)C2)C1OC
InChIInChI=1S/C15H29NO2/c1-4-8-16-13-10-14(15(13)17-3)18-12-7-5-6-11(2)9-12/h11-16H,4-10H2,1-3H3
InChIKeyDAUGECFMQMPFAT-UHFFFAOYSA-N
XLogP2.74
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(3,5-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine
CID 104674893
3-cyclohexyloxy-2-methoxy-N-propylcyclobutan-1-amine
CID 104674423
3-(4,4-dimethylcyclohexyl)oxy-2-methoxy-N-propylcyclobutan-1-amine
CID 114342843
2-cyclobutyloxy-3,5-dimethyl-N-propylcyclohexan-1-amine
CID 64752391
N-ethyl-2-(3-methylcyclohexyl)oxycyclooctan-1-amine
CID 63474385
3-(3-methoxycyclohexyl)oxy-N-propylcyclobutan-1-amine
CID 66351376
cis-(1R,3S)-3-methyl-N-propylcyclohexan-1-amine
CID 15350394
3-butan-2-yloxy-2-methoxy-N-propylcyclobutan-1-amine
CID 104674725
N-methyl-2-(3-methylcyclohexyl)oxycyclohexan-1-amine
CID 55209037
3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674990
3-(oxan-4-yloxy)-2-propoxy-N-propylcyclobutan-1-amine
CID 107943605
3-cyclobutyloxy-N-propylcyclopentan-1-amine
CID 79632240

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine?
The IUPAC name of 2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine (CID 104674594) is 2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine.
What is the SMILES notation for 2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine?
The canonical SMILES for 2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine is CCCNC1CC(OC2CCCC(C)C2)C1OC.
What is the InChIKey of 2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine?
The InChIKey is DAUGECFMQMPFAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-4-8-16-13-10-14(15(13)17-3)18-12-7-5-6-11(2)9-12/h11-16H,4-10H2,1-3H3.
What are the key properties of 2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine?
2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine has a molecular weight of 255.40 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-3-(3-methylcyclohexyl)oxy-N-propylcyclobutan-1-amine is sourced from PubChem (CID 104674594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).