[2-[[(1-propylpyrrol-2-yl)methylamino]methyl]cyclohexyl]methanol

C16H28N2O — CID 66444623

IUPAC[2-[[(1-propylpyrrol-2-yl)methylamino]methyl]cyclohexyl]methanol
SMILESCCCn1cccc1CNCC1CCCCC1CO
InChIInChI=1S/C16H28N2O/c1-2-9-18-10-5-8-16(18)12-17-11-14-6-3-4-7-15(14)13-19/h5,8,10,14-15,17,19H,2-4,6-7,9,11-13H2,1H3
InChIKeySWLUVLSBLXXFMX-UHFFFAOYSA-N
MW264.41 g/mol
LogP2.79
Rot. Bonds7

About [2-[[(1-propylpyrrol-2-yl)methylamino]methyl]cyclohexyl]methanol

[2-[[(1-propylpyrrol-2-yl)methylamino]methyl]cyclohexyl]methanol (PubChem CID 66444623) has the molecular formula C16H28N2O and a molecular weight of 264.41 g/mol. Its IUPAC name is [2-[[(1-propylpyrrol-2-yl)methylamino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[2-[[(1-propylpyrrol-2-yl)methylamino]methyl]cyclohexyl]methanol
PubChem CID66444623
Molecular FormulaC16H28N2O
Molecular Weight264.41 g/mol
Exact Mass264.22
IUPAC Name[2-[[(1-propylpyrrol-2-yl)methylamino]methyl]cyclohexyl]methanol
SMILESCCCn1cccc1CNCC1CCCCC1CO
InChIInChI=1S/C16H28N2O/c1-2-9-18-10-5-8-16(18)12-17-11-14-6-3-4-7-15(14)13-19/h5,8,10,14-15,17,19H,2-4,6-7,9,11-13H2,1H3
InChIKeySWLUVLSBLXXFMX-UHFFFAOYSA-N
XLogP2.79
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze [2-[[(1-propylpyrrol-2-yl)methylamino]methyl]cyclohexyl]methanol 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 [2-[[(1-propylpyrrol-2-yl)methylamino]methyl]cyclohexyl]methanol?
The IUPAC name of [2-[[(1-propylpyrrol-2-yl)methylamino]methyl]cyclohexyl]methanol (CID 66444623) is [2-[[(1-propylpyrrol-2-yl)methylamino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [2-[[(1-propylpyrrol-2-yl)methylamino]methyl]cyclohexyl]methanol?
The canonical SMILES for [2-[[(1-propylpyrrol-2-yl)methylamino]methyl]cyclohexyl]methanol is CCCn1cccc1CNCC1CCCCC1CO.
What is the InChIKey of [2-[[(1-propylpyrrol-2-yl)methylamino]methyl]cyclohexyl]methanol?
The InChIKey is SWLUVLSBLXXFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O/c1-2-9-18-10-5-8-16(18)12-17-11-14-6-3-4-7-15(14)13-19/h5,8,10,14-15,17,19H,2-4,6-7,9,11-13H2,1H3.
What are the key properties of [2-[[(1-propylpyrrol-2-yl)methylamino]methyl]cyclohexyl]methanol?
[2-[[(1-propylpyrrol-2-yl)methylamino]methyl]cyclohexyl]methanol has a molecular weight of 264.41 g/mol, XLogP of 2.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[(1-propylpyrrol-2-yl)methylamino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 66444623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).