1-[(2-ethylcyclohexyl)-methylamino]-3-methoxypropan-2-ol

C13H27NO2 — CID 63861143

IUPAC1-[(2-ethylcyclohexyl)-methylamino]-3-methoxypropan-2-ol
SMILESCCC1CCCCC1N(C)CC(O)COC
InChIInChI=1S/C13H27NO2/c1-4-11-7-5-6-8-13(11)14(2)9-12(15)10-16-3/h11-13,15H,4-10H2,1-3H3
InChIKeyQMLBVGBKIHLPNA-UHFFFAOYSA-N
MW229.36 g/mol
LogP1.89
Rot. Bonds6

About 1-[(2-ethylcyclohexyl)-methylamino]-3-methoxypropan-2-ol

1-[(2-ethylcyclohexyl)-methylamino]-3-methoxypropan-2-ol (PubChem CID 63861143) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is 1-[(2-ethylcyclohexyl)-methylamino]-3-methoxypropan-2-ol.

Molecular Properties

Compound Name1-[(2-ethylcyclohexyl)-methylamino]-3-methoxypropan-2-ol
PubChem CID63861143
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC Name1-[(2-ethylcyclohexyl)-methylamino]-3-methoxypropan-2-ol
SMILESCCC1CCCCC1N(C)CC(O)COC
InChIInChI=1S/C13H27NO2/c1-4-11-7-5-6-8-13(11)14(2)9-12(15)10-16-3/h11-13,15H,4-10H2,1-3H3
InChIKeyQMLBVGBKIHLPNA-UHFFFAOYSA-N
XLogP1.89
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethylcyclohexyl)-methylamino]-3-methoxypropan-2-ol?
The IUPAC name of 1-[(2-ethylcyclohexyl)-methylamino]-3-methoxypropan-2-ol (CID 63861143) is 1-[(2-ethylcyclohexyl)-methylamino]-3-methoxypropan-2-ol.
What is the SMILES notation for 1-[(2-ethylcyclohexyl)-methylamino]-3-methoxypropan-2-ol?
The canonical SMILES for 1-[(2-ethylcyclohexyl)-methylamino]-3-methoxypropan-2-ol is CCC1CCCCC1N(C)CC(O)COC.
What is the InChIKey of 1-[(2-ethylcyclohexyl)-methylamino]-3-methoxypropan-2-ol?
The InChIKey is QMLBVGBKIHLPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-11-7-5-6-8-13(11)14(2)9-12(15)10-16-3/h11-13,15H,4-10H2,1-3H3.
What are the key properties of 1-[(2-ethylcyclohexyl)-methylamino]-3-methoxypropan-2-ol?
1-[(2-ethylcyclohexyl)-methylamino]-3-methoxypropan-2-ol has a molecular weight of 229.36 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethylcyclohexyl)-methylamino]-3-methoxypropan-2-ol is sourced from PubChem (CID 63861143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).