2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol

C13H22N2O — CID 66444409

IUPAC2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol
SMILESCCn1cccc1CNC1CCCCC1O
InChIInChI=1S/C13H22N2O/c1-2-15-9-5-6-11(15)10-14-12-7-3-4-8-13(12)16/h5-6,9,12-14,16H,2-4,7-8,10H2,1H3
InChIKeyRUHPRAVHVNAGNS-UHFFFAOYSA-N
MW222.33 g/mol
LogP1.90
Rot. Bonds4

About 2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol

2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol (PubChem CID 66444409) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol
PubChem CID66444409
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol
SMILESCCn1cccc1CNC1CCCCC1O
InChIInChI=1S/C13H22N2O/c1-2-15-9-5-6-11(15)10-14-12-7-3-4-8-13(12)16/h5-6,9,12-14,16H,2-4,7-8,10H2,1H3
InChIKeyRUHPRAVHVNAGNS-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1-ethylpyrrol-2-yl)methyl]cyclohexanamine
CID 66411275
N-[(1-ethylpyrrol-2-yl)methyl]cyclooctanamine
CID 66410893
N-[(1-ethylpyrrol-2-yl)methyl]-4-methylcyclohexan-1-amine
CID 66412458
2-[[(1-ethylpyrrol-2-yl)methylamino]methyl]cyclopentan-1-ol
CID 66444428
N-[(1-ethylpyrrol-2-yl)methyl]-4-methylsulfanylcyclohexan-1-amine
CID 114122687
N-[(1-ethylpyrrol-2-yl)methyl]-4,4-dimethylcyclohexan-1-amine
CID 66443243
1-cyclopentyl-N-[(1-ethylpyrrol-2-yl)methyl]ethanamine
CID 66445595
trans-(1R,2R)-2-[(2-ethylphenyl)methylamino]cyclohexan-1-ol
CID 102731298
2-[(4-pyrazol-1-ylphenyl)methylamino]cyclohexan-1-ol
CID 60612400
2-[(4-ethylphenyl)methylamino]cyclohexan-1-ol
CID 60612614
2-[(2,6-dichlorophenyl)methylamino]cyclohexan-1-ol
CID 55063698
N-[(1-propylpyrrol-2-yl)methyl]-1,2,3,5,6,7,8,8a-octahydroindolizin-1-amine
CID 66410553

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol?
The IUPAC name of 2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol (CID 66444409) is 2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol.
What is the SMILES notation for 2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol?
The canonical SMILES for 2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol is CCn1cccc1CNC1CCCCC1O.
What is the InChIKey of 2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol?
The InChIKey is RUHPRAVHVNAGNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-15-9-5-6-11(15)10-14-12-7-3-4-8-13(12)16/h5-6,9,12-14,16H,2-4,7-8,10H2,1H3.
What are the key properties of 2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol?
2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol has a molecular weight of 222.33 g/mol, XLogP of 1.90, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrol-2-yl)methylamino]cyclohexan-1-ol is sourced from PubChem (CID 66444409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).