1-[3-[(1R)-1-aminopentyl]indol-1-yl]ethanone;hydrochloride

C15H21ClN2O — CID 171214154

IUPAC1-[3-[(1R)-1-aminopentyl]indol-1-yl]ethanone;hydrochloride
SMILESCCCC[C@@H](N)c1cn(C(C)=O)c2ccccc12.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-3-4-8-14(16)13-10-17(11(2)18)15-9-6-5-7-12(13)15;/h5-7,9-10,14H,3-4,8,16H2,1-2H3;1H/t14-;/m1./s1
InChIKeyORLWZUBFVDSVQC-PFEQFJNWSA-N
MW280.80 g/mol
LogP3.91
Rot. Bonds4

About 1-[3-[(1R)-1-aminopentyl]indol-1-yl]ethanone;hydrochloride

1-[3-[(1R)-1-aminopentyl]indol-1-yl]ethanone;hydrochloride (PubChem CID 171214154) has the molecular formula C15H21ClN2O and a molecular weight of 280.80 g/mol. Its IUPAC name is 1-[3-[(1R)-1-aminopentyl]indol-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[3-[(1R)-1-aminopentyl]indol-1-yl]ethanone;hydrochloride
PubChem CID171214154
Molecular FormulaC15H21ClN2O
Molecular Weight280.80 g/mol
Exact Mass280.13
IUPAC Name1-[3-[(1R)-1-aminopentyl]indol-1-yl]ethanone;hydrochloride
SMILESCCCC[C@@H](N)c1cn(C(C)=O)c2ccccc12.Cl
InChIInChI=1S/C15H20N2O.ClH/c1-3-4-8-14(16)13-10-17(11(2)18)15-9-6-5-7-12(13)15;/h5-7,9-10,14H,3-4,8,16H2,1-2H3;1H/t14-;/m1./s1
InChIKeyORLWZUBFVDSVQC-PFEQFJNWSA-N
XLogP3.91
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.80
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-[(1S)-1-aminopent-4-enyl]indol-1-yl]ethanone;hydrochloride
CID 171233808
methyl (3S)-3-(1-acetylindol-3-yl)-3-aminopropanoate;hydrochloride
CID 171244338
tert-butyl 3-(1-hydroxypentyl)indole-1-carboxylate
CID 138971903
1-acetyl-N-pentylindole-3-carboxamide
CID 113207899
1-[3-(hydroxymethyl)indol-1-yl]ethanone
CID 24819149
[2-[(1R)-1-aminopentyl]phenyl]methanol
CID 55297220
1-[3-[(1S)-4-methyl-1-piperazin-1-ylpentyl]indol-1-yl]ethanone;dihydrochloride
CID 171310478
1-[3-[(1S)-2-fluoro-1-piperazin-1-ylethyl]indol-1-yl]ethanone;dihydrochloride
CID 171295445
1-[3-[(1R)-2-fluoro-1-piperazin-1-ylethyl]indol-1-yl]ethanone;dihydrochloride
CID 171282825
2-[(1R)-1-aminohexyl]benzoic acid;hydrochloride
CID 171201264
ethyl (3S)-3-amino-3-(1-methylindol-3-yl)propanoate;hydrochloride
CID 171226492
1-[3-[(1R)-4,4,4-trifluoro-1-piperazin-1-ylbutyl]indol-1-yl]ethanone;dihydrochloride
CID 171304075

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1R)-1-aminopentyl]indol-1-yl]ethanone;hydrochloride?
The IUPAC name of 1-[3-[(1R)-1-aminopentyl]indol-1-yl]ethanone;hydrochloride (CID 171214154) is 1-[3-[(1R)-1-aminopentyl]indol-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 1-[3-[(1R)-1-aminopentyl]indol-1-yl]ethanone;hydrochloride?
The canonical SMILES for 1-[3-[(1R)-1-aminopentyl]indol-1-yl]ethanone;hydrochloride is CCCC[C@@H](N)c1cn(C(C)=O)c2ccccc12.Cl.
What is the InChIKey of 1-[3-[(1R)-1-aminopentyl]indol-1-yl]ethanone;hydrochloride?
The InChIKey is ORLWZUBFVDSVQC-PFEQFJNWSA-N. The full InChI is InChI=1S/C15H20N2O.ClH/c1-3-4-8-14(16)13-10-17(11(2)18)15-9-6-5-7-12(13)15;/h5-7,9-10,14H,3-4,8,16H2,1-2H3;1H/t14-;/m1./s1.
What are the key properties of 1-[3-[(1R)-1-aminopentyl]indol-1-yl]ethanone;hydrochloride?
1-[3-[(1R)-1-aminopentyl]indol-1-yl]ethanone;hydrochloride has a molecular weight of 280.80 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1R)-1-aminopentyl]indol-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 171214154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).