5-[3-(aminomethyl)indol-1-yl]pentan-1-ol

C14H20N2O — CID 66410117

IUPAC5-[3-(aminomethyl)indol-1-yl]pentan-1-ol
SMILESNCc1cn(CCCCCO)c2ccccc12
InChIInChI=1S/C14H20N2O/c15-10-12-11-16(8-4-1-5-9-17)14-7-3-2-6-13(12)14/h2-3,6-7,11,17H,1,4-5,8-10,15H2
InChIKeyNSPYPMKJDKGTDH-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.26
Rot. Bonds6

About 5-[3-(aminomethyl)indol-1-yl]pentan-1-ol

5-[3-(aminomethyl)indol-1-yl]pentan-1-ol (PubChem CID 66410117) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-[3-(aminomethyl)indol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[3-(aminomethyl)indol-1-yl]pentan-1-ol
PubChem CID66410117
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name5-[3-(aminomethyl)indol-1-yl]pentan-1-ol
SMILESNCc1cn(CCCCCO)c2ccccc12
InChIInChI=1S/C14H20N2O/c15-10-12-11-16(8-4-1-5-9-17)14-7-3-2-6-13(12)14/h2-3,6-7,11,17H,1,4-5,8-10,15H2
InChIKeyNSPYPMKJDKGTDH-UHFFFAOYSA-N
XLogP2.26
TPSA51.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.26
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

6-[3-(aminomethyl)-6-chloroindol-1-yl]hexan-1-ol
CID 107705897
5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211
[1-(3-methylbut-3-enyl)indol-3-yl]methanamine
CID 114477026
5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol
CID 66401335
[1-(2-pyrrolidin-1-ylethyl)indol-3-yl]methanamine
CID 66407065
[1-(2-morpholin-4-ylethyl)indol-3-yl]methanamine
CID 66407723
6-[6-chloro-3-(hydroxymethyl)indol-1-yl]hexan-1-ol
CID 107705771
[1-(4-methylpentyl)indol-3-yl]methanol
CID 83158381
2-[3-(aminomethyl)indol-1-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 66409685
[1-(2-propylsulfonylethyl)indol-3-yl]methanamine
CID 106717671
2-[3-(aminomethyl)indol-1-yl]-1-piperidin-1-ylethanone
CID 66407285
[1-(2-tert-butylsulfonylethyl)indol-3-yl]methanamine
CID 106717670

Frequently Asked Questions

What is the IUPAC name of 5-[3-(aminomethyl)indol-1-yl]pentan-1-ol?
The IUPAC name of 5-[3-(aminomethyl)indol-1-yl]pentan-1-ol (CID 66410117) is 5-[3-(aminomethyl)indol-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[3-(aminomethyl)indol-1-yl]pentan-1-ol?
The canonical SMILES for 5-[3-(aminomethyl)indol-1-yl]pentan-1-ol is NCc1cn(CCCCCO)c2ccccc12.
What is the InChIKey of 5-[3-(aminomethyl)indol-1-yl]pentan-1-ol?
The InChIKey is NSPYPMKJDKGTDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c15-10-12-11-16(8-4-1-5-9-17)14-7-3-2-6-13(12)14/h2-3,6-7,11,17H,1,4-5,8-10,15H2.
What are the key properties of 5-[3-(aminomethyl)indol-1-yl]pentan-1-ol?
5-[3-(aminomethyl)indol-1-yl]pentan-1-ol has a molecular weight of 232.33 g/mol, XLogP of 2.26, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(aminomethyl)indol-1-yl]pentan-1-ol is sourced from PubChem (CID 66410117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).