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

C14H29NO2 — CID 107506735

IUPAC1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine
SMILESCCCNC(COC)COC1CCCC(C)C1
InChIInChI=1S/C14H29NO2/c1-4-8-15-13(10-16-3)11-17-14-7-5-6-12(2)9-14/h12-15H,4-11H2,1-3H3
InChIKeyFDFVAKCZKMMZHB-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.60
Rot. Bonds8

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

1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine (PubChem CID 107506735) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine.

Molecular Properties

Compound Name1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine
PubChem CID107506735
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine
SMILESCCCNC(COC)COC1CCCC(C)C1
InChIInChI=1S/C14H29NO2/c1-4-8-15-13(10-16-3)11-17-14-7-5-6-12(2)9-14/h12-15H,4-11H2,1-3H3
InChIKeyFDFVAKCZKMMZHB-UHFFFAOYSA-N
XLogP2.60
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine
CID 107506875
4-(3-methylcyclohexyl)oxy-2-(propylamino)butan-1-ol
CID 64810001
1-(3,5-dimethylcyclohexyl)oxy-N-ethyl-3-methoxypropan-2-amine
CID 107506878
3-[[2-hydroxy-3-(3-methylcyclohexyl)oxypropyl]amino]-4-methoxybutan-1-ol
CID 106159746
4-(3-methylcyclohexyl)oxy-2-(propylamino)butanamide
CID 63041133
1-(4-methylcyclohexyl)oxy-N-propylpentan-2-amine
CID 62041478
4-methoxy-3-methyl-1-(3-methylcyclohexyl)-N-propylbutan-1-amine
CID 105155901
1-N-cyclobutyl-3-methoxy-1-N-methyl-2-N-propylpropane-1,2-diamine
CID 107505949
1-(4-methoxybutylamino)-3-(3-methylcyclohexyl)oxypropan-2-ol
CID 60970955
methyl 2-bromo-3-(3-methylcyclohexyl)oxypropanoate
CID 81092090
1-(3-methylcyclohexyl)oxy-3-(pentan-2-ylamino)propan-2-ol
CID 60634369
N-ethyl-1-methoxy-3-[(3-methylcyclohexyl)methoxy]propan-2-amine
CID 114197059

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine?
The IUPAC name of 1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine (CID 107506735) is 1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine.
What is the SMILES notation for 1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine?
The canonical SMILES for 1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine is CCCNC(COC)COC1CCCC(C)C1.
What is the InChIKey of 1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine?
The InChIKey is FDFVAKCZKMMZHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-4-8-15-13(10-16-3)11-17-14-7-5-6-12(2)9-14/h12-15H,4-11H2,1-3H3.
What are the key properties of 1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine?
1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 2.60, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine is sourced from PubChem (CID 107506735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).