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

C14H29NO2 — CID 107506878

IUPAC1-(3,5-dimethylcyclohexyl)oxy-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)COC1CC(C)CC(C)C1
InChIInChI=1S/C14H29NO2/c1-5-15-13(9-16-4)10-17-14-7-11(2)6-12(3)8-14/h11-15H,5-10H2,1-4H3
InChIKeyPLSQRLROCBVPGR-UHFFFAOYSA-N
MW243.39 g/mol
LogP2.45
Rot. Bonds7

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

1-(3,5-dimethylcyclohexyl)oxy-N-ethyl-3-methoxypropan-2-amine (PubChem CID 107506878) has the molecular formula C14H29NO2 and a molecular weight of 243.39 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)oxy-N-ethyl-3-methoxypropan-2-amine.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)oxy-N-ethyl-3-methoxypropan-2-amine
PubChem CID107506878
Molecular FormulaC14H29NO2
Molecular Weight243.39 g/mol
Exact Mass243.22
IUPAC Name1-(3,5-dimethylcyclohexyl)oxy-N-ethyl-3-methoxypropan-2-amine
SMILESCCNC(COC)COC1CC(C)CC(C)C1
InChIInChI=1S/C14H29NO2/c1-5-15-13(9-16-4)10-17-14-7-11(2)6-12(3)8-14/h11-15H,5-10H2,1-4H3
InChIKeyPLSQRLROCBVPGR-UHFFFAOYSA-N
XLogP2.45
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.39
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-methoxy-3-(3-methylcyclohexyl)oxy-N-propylpropan-2-amine
CID 107506735
1-(3,5-dimethylcyclohexyl)oxy-3-methoxypropan-2-amine
CID 107506880
N-ethyl-1-methoxy-3-(4-methylpiperidin-1-yl)propan-2-amine
CID 107505226
N-ethyl-1-methoxy-3-[(3-methylcyclohexyl)methoxy]propan-2-amine
CID 114197059
1-methoxy-3-(3-methoxycyclohexyl)oxy-N-propylpropan-2-amine
CID 107506875
N-ethyl-1-methoxy-3-(4-methylazepan-1-yl)propan-2-amine
CID 107505756
N-ethyl-1-methoxy-4-(3-methylbutoxy)butan-2-amine
CID 115001748
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]propan-2-amine
CID 64730061
N-ethyl-1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-amine
CID 107506869
N-ethyl-1-methoxy-3-pyrrolidin-1-ylpropan-2-amine
CID 107505229
N-ethyl-1-methoxy-3-(2-methylpiperidin-1-yl)propan-2-amine
CID 107505238
N-[2-(3,5-dimethylcyclohexyl)oxyethyl]pentan-2-amine
CID 64731424

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)oxy-N-ethyl-3-methoxypropan-2-amine?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)oxy-N-ethyl-3-methoxypropan-2-amine (CID 107506878) is 1-(3,5-dimethylcyclohexyl)oxy-N-ethyl-3-methoxypropan-2-amine.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)oxy-N-ethyl-3-methoxypropan-2-amine?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)oxy-N-ethyl-3-methoxypropan-2-amine is CCNC(COC)COC1CC(C)CC(C)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)oxy-N-ethyl-3-methoxypropan-2-amine?
The InChIKey is PLSQRLROCBVPGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO2/c1-5-15-13(9-16-4)10-17-14-7-11(2)6-12(3)8-14/h11-15H,5-10H2,1-4H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)oxy-N-ethyl-3-methoxypropan-2-amine?
1-(3,5-dimethylcyclohexyl)oxy-N-ethyl-3-methoxypropan-2-amine has a molecular weight of 243.39 g/mol, XLogP of 2.45, 7 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-N-ethyl-3-methoxypropan-2-amine is sourced from PubChem (CID 107506878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).