4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol

C15H26N2O — CID 65116465

IUPAC4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNCc2cccn2C)CC1
InChIInChI=1S/C15H26N2O/c1-3-13-6-8-15(18,9-7-13)12-16-11-14-5-4-10-17(14)2/h4-5,10,13,16,18H,3,6-9,11-12H2,1-2H3
InChIKeyKRIPZAFXUGHTHD-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.45
Rot. Bonds5

About 4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol

4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 65116465) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID65116465
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCCC1CCC(O)(CNCc2cccn2C)CC1
InChIInChI=1S/C15H26N2O/c1-3-13-6-8-15(18,9-7-13)12-16-11-14-5-4-10-17(14)2/h4-5,10,13,16,18H,3,6-9,11-12H2,1-2H3
InChIKeyKRIPZAFXUGHTHD-UHFFFAOYSA-N
XLogP2.45
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol (CID 65116465) is 4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol is CCC1CCC(O)(CNCc2cccn2C)CC1.
What is the InChIKey of 4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is KRIPZAFXUGHTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-3-13-6-8-15(18,9-7-13)12-16-11-14-5-4-10-17(14)2/h4-5,10,13,16,18H,3,6-9,11-12H2,1-2H3.
What are the key properties of 4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol?
4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 250.39 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 65116465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).