2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol

C12H20N2O — CID 66409208

IUPAC2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1cc[nH]c1
InChIInChI=1S/C12H20N2O/c15-12-4-2-1-3-11(12)9-14-8-10-5-6-13-7-10/h5-7,11-15H,1-4,8-9H2
InChIKeyUJPYTEKPRJUWJY-UHFFFAOYSA-N
MW208.30 g/mol
LogP1.66
Rot. Bonds4

About 2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol

2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol (PubChem CID 66409208) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol
PubChem CID66409208
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol
SMILESOC1CCCCC1CNCc1cc[nH]c1
InChIInChI=1S/C12H20N2O/c15-12-4-2-1-3-11(12)9-14-8-10-5-6-13-7-10/h5-7,11-15H,1-4,8-9H2
InChIKeyUJPYTEKPRJUWJY-UHFFFAOYSA-N
XLogP1.66
TPSA48.05 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methylcyclohexyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66409634
trans-(1S,2S)-2-[(benzylamino)methyl]cyclohexan-1-ol
CID 2733721
trans-(1R,2R)-2-[(benzylamino)methyl]cyclohexan-1-ol;hydrochloride
CID 12651711
trans-(1R,2R)-2-[(benzylamino)methyl]cyclooctan-1-ol
CID 13427956
2-[(benzylamino)methyl]cycloheptan-1-ol
CID 13427953
1-(2-methylcyclopropyl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 115686102
1-(1-methylpiperidin-3-yl)-N-(1H-pyrrol-3-ylmethyl)methanamine
CID 66410289
2-[[(3,5-dimethylphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927033
2-[[(4-methoxyphenyl)methylamino]methyl]cyclohexan-1-ol
CID 64927668
4-[[(2-hydroxycyclohexyl)methylamino]methyl]benzoic acid
CID 64912854
2-[[(1-methylpyrazol-4-yl)methylamino]methyl]cyclohexan-1-ol
CID 64927615
2-[(1,3-benzodioxol-5-ylmethylamino)methyl]cyclohexan-1-ol
CID 64927485

Frequently Asked Questions

What is the IUPAC name of 2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol?
The IUPAC name of 2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol (CID 66409208) is 2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol?
The canonical SMILES for 2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol is OC1CCCCC1CNCc1cc[nH]c1.
What is the InChIKey of 2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol?
The InChIKey is UJPYTEKPRJUWJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c15-12-4-2-1-3-11(12)9-14-8-10-5-6-13-7-10/h5-7,11-15H,1-4,8-9H2.
What are the key properties of 2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol?
2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol has a molecular weight of 208.30 g/mol, XLogP of 1.66, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1H-pyrrol-3-ylmethylamino)methyl]cyclohexan-1-ol is sourced from PubChem (CID 66409208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).