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

C17H26N2O — CID 66408211

IUPAC5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
SMILESCCCNCc1cn(CCCCCO)c2ccccc12
InChIInChI=1S/C17H26N2O/c1-2-10-18-13-15-14-19(11-6-3-7-12-20)17-9-5-4-8-16(15)17/h4-5,8-9,14,18,20H,2-3,6-7,10-13H2,1H3
InChIKeyRHTIYKFZTGIUFX-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.30
Rot. Bonds9

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

5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol (PubChem CID 66408211) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol.

Molecular Properties

Compound Name5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
PubChem CID66408211
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
SMILESCCCNCc1cn(CCCCCO)c2ccccc12
InChIInChI=1S/C17H26N2O/c1-2-10-18-13-15-14-19(11-6-3-7-12-20)17-9-5-4-8-16(15)17/h4-5,8-9,14,18,20H,2-3,6-7,10-13H2,1H3
InChIKeyRHTIYKFZTGIUFX-UHFFFAOYSA-N
XLogP3.30
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.41
LogP ≤ 53.30
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

3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142
5-[3-[(2-methoxyethylamino)methyl]indol-1-yl]pentan-1-ol
CID 66401335
2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol
CID 79355094
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
6-[(1-methylindol-3-yl)methylamino]hexan-1-ol
CID 107849119
N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine
CID 66408210
N-[[1-[3-(dimethylamino)propyl]indol-3-yl]methyl]dodecan-1-amine
CID 71546960
N-methyl-2-[3-(propylaminomethyl)indol-1-yl]acetamide
CID 66410167
5-[3-(aminomethyl)indol-1-yl]pentan-1-ol
CID 66410117
N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine
CID 119027572
N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine
CID 66410177
3-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylpropan-1-amine
CID 71025575

Frequently Asked Questions

What is the IUPAC name of 5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol?
The IUPAC name of 5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol (CID 66408211) is 5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol.
What is the SMILES notation for 5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol?
The canonical SMILES for 5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol is CCCNCc1cn(CCCCCO)c2ccccc12.
What is the InChIKey of 5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol?
The InChIKey is RHTIYKFZTGIUFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-2-10-18-13-15-14-19(11-6-3-7-12-20)17-9-5-4-8-16(15)17/h4-5,8-9,14,18,20H,2-3,6-7,10-13H2,1H3.
What are the key properties of 5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol?
5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol has a molecular weight of 274.41 g/mol, XLogP of 3.30, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol is sourced from PubChem (CID 66408211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).