6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol

C13H24N2O — CID 103270570

IUPAC6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol
SMILESCCn1ccc(CNCCCCCCO)c1
InChIInChI=1S/C13H24N2O/c1-2-15-9-7-13(12-15)11-14-8-5-3-4-6-10-16/h7,9,12,14,16H,2-6,8,10-11H2,1H3
InChIKeyWWUNKZWJWKGYLL-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.15
Rot. Bonds9

About 6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol

6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol (PubChem CID 103270570) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol
PubChem CID103270570
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol
SMILESCCn1ccc(CNCCCCCCO)c1
InChIInChI=1S/C13H24N2O/c1-2-15-9-7-13(12-15)11-14-8-5-3-4-6-10-16/h7,9,12,14,16H,2-6,8,10-11H2,1H3
InChIKeyWWUNKZWJWKGYLL-UHFFFAOYSA-N
XLogP2.15
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-[(1-ethylpyrrol-3-yl)methylamino]butanoic acid
CID 66413985
2-[(1-ethylpyrrol-3-yl)methylamino]ethylurea
CID 83109384
N'-cyclohexyl-N-[(1-ethylpyrrol-3-yl)methyl]-N'-methylpropane-1,3-diamine
CID 66413997
6-methylsulfanyl-N-[(1-propylpyrrol-3-yl)methyl]hexan-1-amine
CID 103527657
2-methyl-5-[(1-propylpyrrol-3-yl)methylamino]pentan-1-ol
CID 103527583
N-[(1-dodecylpyrrol-3-yl)methyl]ethanamine
CID 66404098
4-[(4-nonylphenyl)methylamino]butan-1-ol
CID 70951495
2-(3,5-difluorophenyl)-N-[(1-ethylpyrrol-3-yl)methyl]ethanamine
CID 66415967
N-[(1-ethylpyrrol-3-yl)methyl]-2-(2-methoxyethoxy)ethanamine
CID 66415380
5-[4-(benzylamino)butylamino]pentan-1-ol
CID 22006369
3-[(1-ethylpyrrol-3-yl)methylamino]-2-hydroxypropanamide
CID 106171023
N-[(1-ethylpyrrol-3-yl)methyl]-3-(2-methylpiperidin-1-yl)propan-1-amine
CID 66397309

Frequently Asked Questions

What is the IUPAC name of 6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol?
The IUPAC name of 6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol (CID 103270570) is 6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol.
What is the SMILES notation for 6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol?
The canonical SMILES for 6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol is CCn1ccc(CNCCCCCCO)c1.
What is the InChIKey of 6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol?
The InChIKey is WWUNKZWJWKGYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-2-15-9-7-13(12-15)11-14-8-5-3-4-6-10-16/h7,9,12,14,16H,2-6,8,10-11H2,1H3.
What are the key properties of 6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol?
6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol has a molecular weight of 224.35 g/mol, XLogP of 2.15, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(1-ethylpyrrol-3-yl)methylamino]hexan-1-ol is sourced from PubChem (CID 103270570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).