3-[(pyrrol-1-ylamino)methyl]cyclohexan-1-ol

C11H18N2O — CID 130599429

IUPAC3-[(pyrrol-1-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNn2cccc2)C1
InChIInChI=1S/C11H18N2O/c14-11-5-3-4-10(8-11)9-12-13-6-1-2-7-13/h1-2,6-7,10-12,14H,3-5,8-9H2
InChIKeyIREPIAGWBOQRSE-UHFFFAOYSA-N
MW194.28 g/mol
LogP1.58
Rot. Bonds3

About 3-[(pyrrol-1-ylamino)methyl]cyclohexan-1-ol

3-[(pyrrol-1-ylamino)methyl]cyclohexan-1-ol (PubChem CID 130599429) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-[(pyrrol-1-ylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name3-[(pyrrol-1-ylamino)methyl]cyclohexan-1-ol
PubChem CID130599429
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-[(pyrrol-1-ylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCC(CNn2cccc2)C1
InChIInChI=1S/C11H18N2O/c14-11-5-3-4-10(8-11)9-12-13-6-1-2-7-13/h1-2,6-7,10-12,14H,3-5,8-9H2
InChIKeyIREPIAGWBOQRSE-UHFFFAOYSA-N
XLogP1.58
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[[(1S,2S)-2-hydroxycyclopentyl]amino]methyl]cyclohexan-1-ol
CID 106132527
3-[(1-cyclopropylethylamino)methyl]cyclohexan-1-ol
CID 115677296
3-[[(2-chloroimidazo[1,2-a]pyridin-3-yl)methylamino]methyl]cyclohexan-1-ol
CID 111467503
3-[(pyrazolo[1,5-a]pyrazin-4-ylamino)methyl]cyclohexan-1-ol
CID 106129764
N-[(3-hydroxycyclohexyl)methyl]-2-phenylacetamide
CID 113241295
3-[[1-(2,5-dimethylthiophen-3-yl)ethylamino]methyl]cyclohexan-1-ol
CID 103785809
N-[(3-hydroxycyclohexyl)methyl]imidazo[1,2-a]pyrimidine-2-carboxamide
CID 111460186
3-[(thian-4-ylamino)methyl]cyclohexan-1-ol
CID 115654559
3-[[[(E)-3-chloroprop-2-enyl]amino]methyl]cyclohexan-1-ol
CID 106132351
3-[(3-hydroxycyclohexyl)methylamino]propane-1,2-diol
CID 106132055
3-[(2,3,4,5,6-pentafluoroanilino)methyl]cyclohexan-1-ol
CID 106129529
3-[[(4-methylcyclohexyl)amino]methyl]cyclohexan-1-ol
CID 115654560

Frequently Asked Questions

What is the IUPAC name of 3-[(pyrrol-1-ylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 3-[(pyrrol-1-ylamino)methyl]cyclohexan-1-ol (CID 130599429) is 3-[(pyrrol-1-ylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 3-[(pyrrol-1-ylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 3-[(pyrrol-1-ylamino)methyl]cyclohexan-1-ol is OC1CCCC(CNn2cccc2)C1.
What is the InChIKey of 3-[(pyrrol-1-ylamino)methyl]cyclohexan-1-ol?
The InChIKey is IREPIAGWBOQRSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c14-11-5-3-4-10(8-11)9-12-13-6-1-2-7-13/h1-2,6-7,10-12,14H,3-5,8-9H2.
What are the key properties of 3-[(pyrrol-1-ylamino)methyl]cyclohexan-1-ol?
3-[(pyrrol-1-ylamino)methyl]cyclohexan-1-ol has a molecular weight of 194.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(pyrrol-1-ylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 130599429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).