5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol

C15H22N2O — CID 102913749

IUPAC5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol
SMILESCNCc1cccc2ccn(CCCCCO)c12
InChIInChI=1S/C15H22N2O/c1-16-12-14-7-5-6-13-8-10-17(15(13)14)9-3-2-4-11-18/h5-8,10,16,18H,2-4,9,11-12H2,1H3
InChIKeyKQZVHEMVYSLFQF-UHFFFAOYSA-N
MW246.35 g/mol
LogP2.52
Rot. Bonds7

About 5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol

5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol (PubChem CID 102913749) has the molecular formula C15H22N2O and a molecular weight of 246.35 g/mol. Its IUPAC name is 5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol
PubChem CID102913749
Molecular FormulaC15H22N2O
Molecular Weight246.35 g/mol
Exact Mass246.17
IUPAC Name5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol
SMILESCNCc1cccc2ccn(CCCCCO)c12
InChIInChI=1S/C15H22N2O/c1-16-12-14-7-5-6-13-8-10-17(15(13)14)9-3-2-4-11-18/h5-8,10,16,18H,2-4,9,11-12H2,1H3
InChIKeyKQZVHEMVYSLFQF-UHFFFAOYSA-N
XLogP2.52
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.35
LogP ≤ 52.52
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

5-[7-(ethylaminomethyl)indol-1-yl]pentan-1-ol
CID 102914086
5-[7-[(cyclopropylamino)methyl]indol-1-yl]pentan-1-ol
CID 102914739
4-[7-(methylaminomethyl)indol-1-yl]butanenitrile
CID 102913981
2-methyl-3-[7-(methylaminomethyl)indol-1-yl]propanamide
CID 102913928
(1-hept-6-enylindol-7-yl)methanol
CID 107008139
2-[7-(hydroxymethyl)indol-1-yl]ethanol
CID 102912014
6-(7-nitroindol-1-yl)hexan-1-ol
CID 107707117
methyl 4-[7-[(propan-2-ylamino)methyl]indol-1-yl]butanoate
CID 102914556
[1-(2-methylsulfanylethyl)indol-7-yl]methanol
CID 102912009
2-[2-[7-(propylaminomethyl)indol-1-yl]ethoxy]ethanol
CID 102914261
7-ethyl-1-(3-methylsulfanylpropyl)indole
CID 116618726
(1-pent-4-enylindol-7-yl)methanol
CID 102912127

Frequently Asked Questions

What is the IUPAC name of 5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol?
The IUPAC name of 5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol (CID 102913749) is 5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol?
The canonical SMILES for 5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol is CNCc1cccc2ccn(CCCCCO)c12.
What is the InChIKey of 5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol?
The InChIKey is KQZVHEMVYSLFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O/c1-16-12-14-7-5-6-13-8-10-17(15(13)14)9-3-2-4-11-18/h5-8,10,16,18H,2-4,9,11-12H2,1H3.
What are the key properties of 5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol?
5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol has a molecular weight of 246.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-(methylaminomethyl)indol-1-yl]pentan-1-ol is sourced from PubChem (CID 102913749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).