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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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).