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

C13H24N2O — CID 107705862

IUPAC6-[3-[1-(methylamino)ethyl]pyrrol-1-yl]hexan-1-ol
SMILESCNC(C)c1ccn(CCCCCCO)c1
InChIInChI=1S/C13H24N2O/c1-12(14-2)13-7-9-15(11-13)8-5-3-4-6-10-16/h7,9,11-12,14,16H,3-6,8,10H2,1-2H3
InChIKeyBDNCRVBXSJILHW-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.32
Rot. Bonds8

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

6-[3-[1-(methylamino)ethyl]pyrrol-1-yl]hexan-1-ol (PubChem CID 107705862) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 6-[3-[1-(methylamino)ethyl]pyrrol-1-yl]hexan-1-ol.

Molecular Properties

Compound Name6-[3-[1-(methylamino)ethyl]pyrrol-1-yl]hexan-1-ol
PubChem CID107705862
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name6-[3-[1-(methylamino)ethyl]pyrrol-1-yl]hexan-1-ol
SMILESCNC(C)c1ccn(CCCCCCO)c1
InChIInChI=1S/C13H24N2O/c1-12(14-2)13-7-9-15(11-13)8-5-3-4-6-10-16/h7,9,11-12,14,16H,3-6,8,10H2,1-2H3
InChIKeyBDNCRVBXSJILHW-UHFFFAOYSA-N
XLogP2.32
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.32
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

N-methyl-1-[1-(4,4,4-trifluorobutyl)pyrrol-3-yl]ethanamine
CID 115515157
3-[3-(1-hydroxyethyl)pyrrol-1-yl]propan-1-ol
CID 79107179
N-methyl-1-[1-(3-phenylpropyl)pyrrol-3-yl]ethanamine
CID 79098439
5-[3-(1-hydroxybutyl)pyrrol-1-yl]pentan-1-ol
CID 79109219
N-methyl-1-[1-(2-methylpropyl)pyrrol-3-yl]ethanamine
CID 79099719
N-methyl-1-[1-[3-(2,2,2-trifluoroethoxy)propyl]pyrrol-3-yl]ethanamine
CID 79098535
N-cyclopropyl-3-[3-[1-(methylamino)ethyl]pyrrol-1-yl]propanamide
CID 79098648
6-[3-(hydroxymethyl)pyrrol-1-yl]hexan-1-ol
CID 107705762
4-[3-[cyclopropyl(propylamino)methyl]pyrrol-1-yl]butan-1-ol
CID 79104467
4-[3-(1-hydroxyethyl)pyrrol-1-yl]-N-methylbutanamide
CID 79102812
1-[1-(ethoxymethyl)pyrrol-3-yl]-N-methylethanamine
CID 79098433
1-[1-(4-methoxybutyl)pyrrol-3-yl]-N,2-dimethylpropan-1-amine
CID 113437043

Frequently Asked Questions

What is the IUPAC name of 6-[3-[1-(methylamino)ethyl]pyrrol-1-yl]hexan-1-ol?
The IUPAC name of 6-[3-[1-(methylamino)ethyl]pyrrol-1-yl]hexan-1-ol (CID 107705862) is 6-[3-[1-(methylamino)ethyl]pyrrol-1-yl]hexan-1-ol.
What is the SMILES notation for 6-[3-[1-(methylamino)ethyl]pyrrol-1-yl]hexan-1-ol?
The canonical SMILES for 6-[3-[1-(methylamino)ethyl]pyrrol-1-yl]hexan-1-ol is CNC(C)c1ccn(CCCCCCO)c1.
What is the InChIKey of 6-[3-[1-(methylamino)ethyl]pyrrol-1-yl]hexan-1-ol?
The InChIKey is BDNCRVBXSJILHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-12(14-2)13-7-9-15(11-13)8-5-3-4-6-10-16/h7,9,11-12,14,16H,3-6,8,10H2,1-2H3.
What are the key properties of 6-[3-[1-(methylamino)ethyl]pyrrol-1-yl]hexan-1-ol?
6-[3-[1-(methylamino)ethyl]pyrrol-1-yl]hexan-1-ol has a molecular weight of 224.35 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[1-(methylamino)ethyl]pyrrol-1-yl]hexan-1-ol is sourced from PubChem (CID 107705862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).