1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine

C14H29NO3 — CID 107506875

IUPAC1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine
SMILESCCCNC(COC)COC1CCCC(OC)C1
InChIInChI=1S/C14H29NO3/c1-4-8-15-12(10-16-2)11-18-14-7-5-6-13(9-14)17-3/h12-15H,4-11H2,1-3H3
InChIKeyOCYRSGPDHJDDGG-UHFFFAOYSA-N
MW259.39 g/mol
LogP1.98
Rot. Bonds9

About 1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine

1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine (PubChem CID 107506875) has the molecular formula C14H29NO3 and a molecular weight of 259.39 g/mol. Its IUPAC name is 1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine
PubChem CID107506875
Molecular FormulaC14H29NO3
Molecular Weight259.39 g/mol
Exact Mass259.21
IUPAC Name1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine
SMILESCCCNC(COC)COC1CCCC(OC)C1
InChIInChI=1S/C14H29NO3/c1-4-8-15-12(10-16-2)11-18-14-7-5-6-13(9-14)17-3/h12-15H,4-11H2,1-3H3
InChIKeyOCYRSGPDHJDDGG-UHFFFAOYSA-N
XLogP1.98
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine
CID 107506735
3-(3-methoxycyclohexyl)oxy-2-methyl-N-propylpropan-1-amine
CID 103074781
1-N-cyclobutyl-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505949
4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-ol
CID 64810001
1-[2-(bromomethyl)butoxy]-3-methoxycyclohexane
CID 65000321
1-N-cyclopentyl-1-N-ethyl-3-methoxy-2-N-propylpropane-1,2-diamine
CID 107505386
1-cyclopentyloxy-3-methoxy-N-methylpropan-2-amine
CID 107506488
1-(3,5-dimethylcyclohexyl)oxy-N-ethyl-3-methoxypropan-2-amine
CID 107506878
1-cyclobutyloxy-3,3-dimethyl-N-propylbutan-2-amine
CID 62116848
1-(4-methylcyclohexyl)oxy-N-propylpentan-2-amine
CID 62041478
1,3-bis(2-methylpropoxy)cyclohexane
CID 142724775
1-[3-methoxy-2-(propylamino)propyl]-N,N-dimethylpiperidin-3-amine
CID 107505847

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine?
The IUPAC name of 1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine (CID 107506875) is 1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine?
The canonical SMILES for 1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine is CCCNC(COC)COC1CCCC(OC)C1.
What is the InChIKey of 1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine?
The InChIKey is OCYRSGPDHJDDGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3/c1-4-8-15-12(10-16-2)11-18-14-7-5-6-13(9-14)17-3/h12-15H,4-11H2,1-3H3.
What are the key properties of 1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine?
1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine has a molecular weight of 259.39 g/mol, XLogP of 1.98, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine is sourced from PubChem (CID 107506875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).