3-methoxy-2-(3-methylcyclohexyl)oxypropan-1-amine

C11H23NO2 — CID 103227930

IUPAC3-methoxy-2-(3-methylcyclohexyl)oxypropan-1-amine
SMILESCOCC(CN)OC1CCCC(C)C1
InChIInChI=1S/C11H23NO2/c1-9-4-3-5-10(6-9)14-11(7-12)8-13-2/h9-11H,3-8,12H2,1-2H3
InChIKeyBLQKIDHNPNZDRM-UHFFFAOYSA-N
MW201.31 g/mol
LogP1.56
Rot. Bonds5

About 3-methoxy-2-(3-methylcyclohexyl)oxypropan-1-amine

3-methoxy-2-(3-methylcyclohexyl)oxypropan-1-amine (PubChem CID 103227930) has the molecular formula C11H23NO2 and a molecular weight of 201.31 g/mol. Its IUPAC name is 3-methoxy-2-(3-methylcyclohexyl)oxypropan-1-amine.

Molecular Properties

Compound Name3-methoxy-2-(3-methylcyclohexyl)oxypropan-1-amine
PubChem CID103227930
Molecular FormulaC11H23NO2
Molecular Weight201.31 g/mol
Exact Mass201.17
IUPAC Name3-methoxy-2-(3-methylcyclohexyl)oxypropan-1-amine
SMILESCOCC(CN)OC1CCCC(C)C1
InChIInChI=1S/C11H23NO2/c1-9-4-3-5-10(6-9)14-11(7-12)8-13-2/h9-11H,3-8,12H2,1-2H3
InChIKeyBLQKIDHNPNZDRM-UHFFFAOYSA-N
XLogP1.56
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-methoxy-2-(3-methylcyclohexyl)oxypropan-1-amine?
The IUPAC name of 3-methoxy-2-(3-methylcyclohexyl)oxypropan-1-amine (CID 103227930) is 3-methoxy-2-(3-methylcyclohexyl)oxypropan-1-amine.
What is the SMILES notation for 3-methoxy-2-(3-methylcyclohexyl)oxypropan-1-amine?
The canonical SMILES for 3-methoxy-2-(3-methylcyclohexyl)oxypropan-1-amine is COCC(CN)OC1CCCC(C)C1.
What is the InChIKey of 3-methoxy-2-(3-methylcyclohexyl)oxypropan-1-amine?
The InChIKey is BLQKIDHNPNZDRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO2/c1-9-4-3-5-10(6-9)14-11(7-12)8-13-2/h9-11H,3-8,12H2,1-2H3.
What are the key properties of 3-methoxy-2-(3-methylcyclohexyl)oxypropan-1-amine?
3-methoxy-2-(3-methylcyclohexyl)oxypropan-1-amine has a molecular weight of 201.31 g/mol, XLogP of 1.56, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-2-(3-methylcyclohexyl)oxypropan-1-amine is sourced from PubChem (CID 103227930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).