[1-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]methanol

C13H22N2O — CID 66400249

IUPAC[1-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]methanol
SMILESCn1ccc(CNC2(CO)CCCCC2)c1
InChIInChI=1S/C13H22N2O/c1-15-8-5-12(10-15)9-14-13(11-16)6-3-2-4-7-13/h5,8,10,14,16H,2-4,6-7,9,11H2,1H3
InChIKeyNTIOKZPMTWFIPC-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.81
Rot. Bonds4

About [1-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]methanol

[1-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]methanol (PubChem CID 66400249) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is [1-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]methanol
PubChem CID66400249
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name[1-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]methanol
SMILESCn1ccc(CNC2(CO)CCCCC2)c1
InChIInChI=1S/C13H22N2O/c1-15-8-5-12(10-15)9-14-13(11-16)6-3-2-4-7-13/h5,8,10,14,16H,2-4,6-7,9,11H2,1H3
InChIKeyNTIOKZPMTWFIPC-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[(1-methylpyrrol-3-yl)methylamino]cyclopentyl]methanol
CID 66400247
[1-[(4-ethylphenyl)methylamino]cyclopentyl]methanol
CID 62524121
[1-[(1-methylpyrazol-3-yl)methylamino]cyclohexyl]methanol
CID 82866192
1-(aminomethyl)-N-[(1-methylpyrrol-3-yl)methyl]cycloheptane-1-carboxamide
CID 106390779
[1-[[4-(difluoromethyl)phenyl]methylamino]cyclohexyl]methanol
CID 115523953
1-[(1-methylpyrrol-3-yl)methyl]cyclohexane-1-carboxylic acid
CID 82286606
N-[1-(hydroxymethyl)cyclopentyl]-1-methylpyrrole-3-sulfonamide
CID 62519995
[1-[(4-fluoro-3-methylphenyl)methylamino]cyclohexyl]methanol
CID 62521694
[1-[(4-butoxyphenyl)methylamino]cyclohexyl]methanol
CID 62520257
N-[(1-methylpyrrol-3-yl)methyl]piperidin-1-amine
CID 83007646
[1-[(1-phenylpyrazol-4-yl)methylamino]cyclopentyl]methanol
CID 62523609
[1-[(4-pyrazol-1-ylphenyl)methylamino]cyclopentyl]methanol
CID 62524143

Frequently Asked Questions

What is the IUPAC name of [1-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]methanol?
The IUPAC name of [1-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]methanol (CID 66400249) is [1-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]methanol.
What is the SMILES notation for [1-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]methanol?
The canonical SMILES for [1-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]methanol is Cn1ccc(CNC2(CO)CCCCC2)c1.
What is the InChIKey of [1-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]methanol?
The InChIKey is NTIOKZPMTWFIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-15-8-5-12(10-15)9-14-13(11-16)6-3-2-4-7-13/h5,8,10,14,16H,2-4,6-7,9,11H2,1H3.
What are the key properties of [1-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]methanol?
[1-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]methanol has a molecular weight of 222.33 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-methylpyrrol-3-yl)methylamino]cyclohexyl]methanol is sourced from PubChem (CID 66400249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).