2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride

C17H27ClN2O — CID 119313316

IUPAC2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCc2cc(C(C)(C)C)ccc21.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-5-6-14(18)16(20)19-10-9-12-11-13(17(2,3)4)7-8-15(12)19;/h7-8,11,14H,5-6,9-10,18H2,1-4H3;1H
InChIKeyPJEWHBJKKHIFRG-UHFFFAOYSA-N
MW310.87 g/mol
LogP3.42
Rot. Bonds3

About 2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride

2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride (PubChem CID 119313316) has the molecular formula C17H27ClN2O and a molecular weight of 310.87 g/mol. Its IUPAC name is 2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride
PubChem CID119313316
Molecular FormulaC17H27ClN2O
Molecular Weight310.87 g/mol
Exact Mass310.18
IUPAC Name2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride
SMILESCCCC(N)C(=O)N1CCc2cc(C(C)(C)C)ccc21.Cl
InChIInChI=1S/C17H26N2O.ClH/c1-5-6-14(18)16(20)19-10-9-12-11-13(17(2,3)4)7-8-15(12)19;/h7-8,11,14H,5-6,9-10,18H2,1-4H3;1H
InChIKeyPJEWHBJKKHIFRG-UHFFFAOYSA-N
XLogP3.42
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.87
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-1-(5-bromo-2,3-dihydroindol-1-yl)pentan-1-one
CID 119280348
1-(2-aminopentanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157588
(2S)-2-amino-1-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 107569298
1-(2-aminohexanoyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157599
1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119334262
[4-(aminomethyl)phenyl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 75429777
[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone;hydrochloride
CID 120929972
(2S)-N-(1-acetyl-2,3-dihydroindol-5-yl)-2-aminopentanamide
CID 107568450
[4-(aminomethyl)oxan-4-yl]-(5-tert-butyl-2,3-dihydroindol-1-yl)methanone
CID 120929973
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-4-methylsulfanylbutan-1-one
CID 119310085
1-(2-aminobutanoyl)-2,3-dihydroindole-6-carboxylic acid
CID 113382387
(2S)-2-amino-1-(5-methoxy-2,3-dihydroindol-1-yl)-3,3-dimethylbutan-1-one;hydrochloride
CID 119760433

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride (CID 119313316) is 2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride is CCCC(N)C(=O)N1CCc2cc(C(C)(C)C)ccc21.Cl.
What is the InChIKey of 2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride?
The InChIKey is PJEWHBJKKHIFRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O.ClH/c1-5-6-14(18)16(20)19-10-9-12-11-13(17(2,3)4)7-8-15(12)19;/h7-8,11,14H,5-6,9-10,18H2,1-4H3;1H.
What are the key properties of 2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride?
2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride has a molecular weight of 310.87 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(5-tert-butyl-2,3-dihydroindol-1-yl)pentan-1-one;hydrochloride is sourced from PubChem (CID 119313316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).