4-[2-(aminomethyl)pyrrol-1-yl]butan-1-ol

C9H16N2O — CID 66407517

IUPAC4-[2-(aminomethyl)pyrrol-1-yl]butan-1-ol
SMILESNCc1cccn1CCCCO
InChIInChI=1S/C9H16N2O/c10-8-9-4-3-6-11(9)5-1-2-7-12/h3-4,6,12H,1-2,5,7-8,10H2
InChIKeyXVKQAVWTPROQEO-UHFFFAOYSA-N
MW168.24 g/mol
LogP0.72
Rot. Bonds5

About 4-[2-(aminomethyl)pyrrol-1-yl]butan-1-ol

4-[2-(aminomethyl)pyrrol-1-yl]butan-1-ol (PubChem CID 66407517) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 4-[2-(aminomethyl)pyrrol-1-yl]butan-1-ol.

Molecular Properties

Compound Name4-[2-(aminomethyl)pyrrol-1-yl]butan-1-ol
PubChem CID66407517
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name4-[2-(aminomethyl)pyrrol-1-yl]butan-1-ol
SMILESNCc1cccn1CCCCO
InChIInChI=1S/C9H16N2O/c10-8-9-4-3-6-11(9)5-1-2-7-12/h3-4,6,12H,1-2,5,7-8,10H2
InChIKeyXVKQAVWTPROQEO-UHFFFAOYSA-N
XLogP0.72
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 50.72
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

[1-(4-methylpentyl)pyrrol-2-yl]methanamine
CID 83158614
[1-[4-(oxan-4-yl)butyl]pyrrol-2-yl]methanamine
CID 114191654
5-[2-[(2-methylpropylamino)methyl]pyrrol-1-yl]pentan-1-ol
CID 66402617
[1-(2-phenylethyl)pyrrol-2-yl]methanamine
CID 66408175
5-[2-(hydroxymethyl)pyrrol-1-yl]pentanenitrile
CID 66400569
3-[2-(propylaminomethyl)pyrrol-1-yl]propan-1-ol
CID 66401970
[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]pyrrol-2-yl]methanamine
CID 112591068
2-(1-nonylpyrrol-2-yl)ethanamine
CID 66405846
[1-[3-(dimethylamino)propyl]pyrrol-2-yl]methanol
CID 114526143
(4-chlorophenyl)-[4-[[1-(3-hydroxypropyl)pyrrol-2-yl]methyl]phenyl]methanone
CID 57107265
2-[1-(4-methoxybutyl)pyrrol-2-yl]ethanamine
CID 104649672
5-[3-(aminomethyl)indol-1-yl]pentan-1-ol
CID 66410117

Frequently Asked Questions

What is the IUPAC name of 4-[2-(aminomethyl)pyrrol-1-yl]butan-1-ol?
The IUPAC name of 4-[2-(aminomethyl)pyrrol-1-yl]butan-1-ol (CID 66407517) is 4-[2-(aminomethyl)pyrrol-1-yl]butan-1-ol.
What is the SMILES notation for 4-[2-(aminomethyl)pyrrol-1-yl]butan-1-ol?
The canonical SMILES for 4-[2-(aminomethyl)pyrrol-1-yl]butan-1-ol is NCc1cccn1CCCCO.
What is the InChIKey of 4-[2-(aminomethyl)pyrrol-1-yl]butan-1-ol?
The InChIKey is XVKQAVWTPROQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c10-8-9-4-3-6-11(9)5-1-2-7-12/h3-4,6,12H,1-2,5,7-8,10H2.
What are the key properties of 4-[2-(aminomethyl)pyrrol-1-yl]butan-1-ol?
4-[2-(aminomethyl)pyrrol-1-yl]butan-1-ol has a molecular weight of 168.24 g/mol, XLogP of 0.72, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(aminomethyl)pyrrol-1-yl]butan-1-ol is sourced from PubChem (CID 66407517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).