4-ethyl-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]cyclohexan-1-ol

C15H29NO2 — CID 102789647

IUPAC4-ethyl-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN2CCC(C)C2CO)C1
InChIInChI=1S/C15H29NO2/c1-3-12-4-5-15(18)13(8-12)9-16-7-6-11(2)14(16)10-17/h11-15,17-18H,3-10H2,1-2H3
InChIKeyOBLUAOBCRSJACB-UHFFFAOYSA-N
MW255.40 g/mol
LogP1.88
Rot. Bonds4

About 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]cyclohexan-1-ol

4-ethyl-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]cyclohexan-1-ol (PubChem CID 102789647) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]cyclohexan-1-ol
PubChem CID102789647
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name4-ethyl-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)C(CN2CCC(C)C2CO)C1
InChIInChI=1S/C15H29NO2/c1-3-12-4-5-15(18)13(8-12)9-16-7-6-11(2)14(16)10-17/h11-15,17-18H,3-10H2,1-2H3
InChIKeyOBLUAOBCRSJACB-UHFFFAOYSA-N
XLogP1.88
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]cyclohexan-1-ol (CID 102789647) is 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]cyclohexan-1-ol is CCC1CCC(O)C(CN2CCC(C)C2CO)C1.
What is the InChIKey of 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]cyclohexan-1-ol?
The InChIKey is OBLUAOBCRSJACB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-3-12-4-5-15(18)13(8-12)9-16-7-6-11(2)14(16)10-17/h11-15,17-18H,3-10H2,1-2H3.
What are the key properties of 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]cyclohexan-1-ol?
4-ethyl-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]cyclohexan-1-ol has a molecular weight of 255.40 g/mol, XLogP of 1.88, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-[[2-(hydroxymethyl)-3-methylpyrrolidin-1-yl]methyl]cyclohexan-1-ol is sourced from PubChem (CID 102789647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).