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

C13H22N2O — CID 106126325

IUPAC4-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCn1cccc1CNCC1CCC(O)CC1
InChIInChI=1S/C13H22N2O/c1-15-8-2-3-12(15)10-14-9-11-4-6-13(16)7-5-11/h2-3,8,11,13-14,16H,4-7,9-10H2,1H3
InChIKeyQPPVVLPFEZGTFC-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.67
Rot. Bonds4

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

4-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol (PubChem CID 106126325) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 4-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol
PubChem CID106126325
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name4-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol
SMILESCn1cccc1CNCC1CCC(O)CC1
InChIInChI=1S/C13H22N2O/c1-15-8-2-3-12(15)10-14-9-11-4-6-13(16)7-5-11/h2-3,8,11,13-14,16H,4-7,9-10H2,1H3
InChIKeyQPPVVLPFEZGTFC-UHFFFAOYSA-N
XLogP1.67
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 4-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol?
The IUPAC name of 4-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol (CID 106126325) is 4-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol.
What is the SMILES notation for 4-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol?
The canonical SMILES for 4-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol is Cn1cccc1CNCC1CCC(O)CC1.
What is the InChIKey of 4-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol?
The InChIKey is QPPVVLPFEZGTFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15-8-2-3-12(15)10-14-9-11-4-6-13(16)7-5-11/h2-3,8,11,13-14,16H,4-7,9-10H2,1H3.
What are the key properties of 4-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol?
4-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 1.67, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(1-methylpyrrol-2-yl)methylamino]methyl]cyclohexan-1-ol is sourced from PubChem (CID 106126325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).