2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol

C17H26N2O — CID 79355094

IUPAC2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol
SMILESCCCNCc1cn(CCC(C)(C)O)c2ccccc12
InChIInChI=1S/C17H26N2O/c1-4-10-18-12-14-13-19(11-9-17(2,3)20)16-8-6-5-7-15(14)16/h5-8,13,18,20H,4,9-12H2,1-3H3
InChIKeyZZLSXIUSGFCNGF-UHFFFAOYSA-N
MW274.41 g/mol
LogP3.30
Rot. Bonds7

About 2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol

2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol (PubChem CID 79355094) has the molecular formula C17H26N2O and a molecular weight of 274.41 g/mol. Its IUPAC name is 2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol
PubChem CID79355094
Molecular FormulaC17H26N2O
Molecular Weight274.41 g/mol
Exact Mass274.20
IUPAC Name2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol
SMILESCCCNCc1cn(CCC(C)(C)O)c2ccccc12
InChIInChI=1S/C17H26N2O/c1-4-10-18-12-14-13-19(11-9-17(2,3)20)16-8-6-5-7-15(14)16/h5-8,13,18,20H,4,9-12H2,1-3H3
InChIKeyZZLSXIUSGFCNGF-UHFFFAOYSA-N
XLogP3.30
TPSA37.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
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

N-[[1-(3,3,3-trifluoropropyl)indol-3-yl]methyl]propan-1-amine
CID 66408210
2,2-dimethyl-4-[3-(propylaminomethyl)indol-1-yl]butanenitrile
CID 66410175
5-[3-(propylaminomethyl)indol-1-yl]pentan-1-ol
CID 66408211
N-[[1-[2-(trifluoromethoxy)ethyl]indol-3-yl]methyl]propan-1-amine
CID 66410177
3-[(1-propylindol-3-yl)methylamino]propan-1-ol
CID 94074142
N-methyl-2-[3-(propylaminomethyl)indol-1-yl]acetamide
CID 66410167
N-methyl-N'-[(1-propylindol-3-yl)methyl]propane-1,3-diamine
CID 119027572
2-[3-(ethylaminomethyl)indol-1-yl]ethanol
CID 66409741
3-[1-(3-hydroxy-3-methylbutyl)indol-3-yl]propanoic acid
CID 79354758
3-methoxy-N-[(1-propylindol-3-yl)methyl]propan-1-amine
CID 94074135
1-(3-hydroxy-3-methylbutyl)indole-3-carbaldehyde
CID 79355612
2-[3-(ethylaminomethyl)indol-1-yl]-N,N-dimethylethanamine
CID 66409955

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol?
The IUPAC name of 2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol (CID 79355094) is 2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol is CCCNCc1cn(CCC(C)(C)O)c2ccccc12.
What is the InChIKey of 2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol?
The InChIKey is ZZLSXIUSGFCNGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O/c1-4-10-18-12-14-13-19(11-9-17(2,3)20)16-8-6-5-7-15(14)16/h5-8,13,18,20H,4,9-12H2,1-3H3.
What are the key properties of 2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol?
2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol has a molecular weight of 274.41 g/mol, XLogP of 3.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[3-(propylaminomethyl)indol-1-yl]butan-2-ol is sourced from PubChem (CID 79355094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).