1-(3,5-dimethylcyclohexyl)oxy-3-methoxypropan-2-amine

C12H25NO2 — CID 107506880

IUPAC1-(3,5-dimethylcyclohexyl)oxy-3-methoxypropan-2-amine
SMILESCOCC(N)COC1CC(C)CC(C)C1
InChIInChI=1S/C12H25NO2/c1-9-4-10(2)6-12(5-9)15-8-11(13)7-14-3/h9-12H,4-8,13H2,1-3H3
InChIKeySMGIWJLSVCDTGC-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.80
Rot. Bonds5

About 1-(3,5-dimethylcyclohexyl)oxy-3-methoxypropan-2-amine

1-(3,5-dimethylcyclohexyl)oxy-3-methoxypropan-2-amine (PubChem CID 107506880) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)oxy-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)oxy-3-methoxypropan-2-amine
PubChem CID107506880
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC Name1-(3,5-dimethylcyclohexyl)oxy-3-methoxypropan-2-amine
SMILESCOCC(N)COC1CC(C)CC(C)C1
InChIInChI=1S/C12H25NO2/c1-9-4-10(2)6-12(5-9)15-8-11(13)7-14-3/h9-12H,4-8,13H2,1-3H3
InChIKeySMGIWJLSVCDTGC-UHFFFAOYSA-N
XLogP1.80
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,4,4-Trifluoro-3-(3,3,5-trimethylcyclohexyl)oxybutan-2-amine
CID 61647892
1,1,1-Trifluoro-2-(3,3,5-trimethylcyclohexyl)oxypentan-3-amine
CID 61647893
4,4,4-Trifluoro-3-(3-methylcyclohexyl)oxybutan-2-amine
CID 61648061
1,1,1-Trifluoro-2-(3-methylcyclohexyl)oxypentan-3-amine
CID 61648115
2-(3,5-Dimethylcyclohexyl)oxy-3,3,3-trifluoropropan-1-amine
CID 64728771
2-(3,5-Dimethylcyclohexyl)oxy-1,1,1-trifluoropentan-3-amine
CID 64728774
3-(3,5-Dimethylcyclohexyl)oxy-4,4,4-trifluorobutan-2-amine
CID 64730379
(2S)-1-(4-methylcyclohexyl)oxypropan-2-amine
CID 81846791
1-[3-(2-Aminopropoxy)-2-ethylhexoxy]propan-2-amine
CID 117619456
1-[3-(2-Methylpropoxymethyl)heptan-4-yloxy]propan-2-amine
CID 129087572
1-[3-(2-Aminopropoxy)-2-ethylhexoxy]butan-2-amine
CID 129157110
(3R)-3-(cyclohexylmethoxy)butan-2-amine
CID 135247469

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)oxy-3-methoxypropan-2-amine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)oxy-3-methoxypropan-2-amine (CID 107506880) is 1-(3,5-dimethylcyclohexyl)oxy-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)oxy-3-methoxypropan-2-amine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)oxy-3-methoxypropan-2-amine is COCC(N)COC1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)oxy-3-methoxypropan-2-amine?
The InChIKey is SMGIWJLSVCDTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-9-4-10(2)6-12(5-9)15-8-11(13)7-14-3/h9-12H,4-8,13H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)oxy-3-methoxypropan-2-amine?
1-(3,5-dimethylcyclohexyl)oxy-3-methoxypropan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 1.80, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)oxy-3-methoxypropan-2-amine is sourced from PubChem (CID 107506880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).