2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride

C14H21ClN2O — CID 119777884

IUPAC2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride
SMILESCCC(C)C(N)C(=O)N1Cc2ccccc2C1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-3-10(2)13(15)14(17)16-8-11-6-4-5-7-12(11)9-16;/h4-7,10,13H,3,8-9,15H2,1-2H3;1H
InChIKeyWKUCMHGVDQUBMQ-UHFFFAOYSA-N
MW268.79 g/mol
LogP2.32
Rot. Bonds3

About 2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride

2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride (PubChem CID 119777884) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride.

Molecular Properties

Compound Name2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride
PubChem CID119777884
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride
SMILESCCC(C)C(N)C(=O)N1Cc2ccccc2C1.Cl
InChIInChI=1S/C14H20N2O.ClH/c1-3-10(2)13(15)14(17)16-8-11-6-4-5-7-12(11)9-16;/h4-7,10,13H,3,8-9,15H2,1-2H3;1H
InChIKeyWKUCMHGVDQUBMQ-UHFFFAOYSA-N
XLogP2.32
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-2-amino-1-(5-hydroxy-1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one
CID 146400432
(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one
CID 69186107
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylbutan-1-one
CID 62232341
2-[(2S)-2-amino-3-methylpentanoyl]-3,4-dihydro-1H-isoquinoline-4-carboxylic acid
CID 65260962
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride
CID 91647686
(2R)-2-amino-1-(1,3-dihydroisoindol-2-yl)propan-1-one;hydrochloride
CID 91647685
(2S)-2-amino-1-(1,3-dihydroisoindol-2-yl)pentan-1-one
CID 94373290
1,4-bis(1,3-dihydroisoindol-2-yl)-2,3-dimethylbutane-1,4-dione
CID 119035210
(2S,3S)-2-amino-1-[4-[(2S,3S)-2-amino-3-methylpentanoyl]piperazin-1-yl]-3-methylpentan-1-one
CID 10667783
2-amino-1-(4-benzylpiperazin-1-yl)-3-methylpentan-1-one
CID 24704627
(2R,3S)-1-(1,3-dihydroisoindol-2-yl)-2,3-dihydroxybutan-1-one
CID 143154451
1-(1,3-dihydroisoindol-2-yl)-2-sulfanylpropan-1-one
CID 107028048

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride?
The IUPAC name of 2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride (CID 119777884) is 2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride.
What is the SMILES notation for 2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride?
The canonical SMILES for 2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride is CCC(C)C(N)C(=O)N1Cc2ccccc2C1.Cl.
What is the InChIKey of 2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride?
The InChIKey is WKUCMHGVDQUBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O.ClH/c1-3-10(2)13(15)14(17)16-8-11-6-4-5-7-12(11)9-16;/h4-7,10,13H,3,8-9,15H2,1-2H3;1H.
What are the key properties of 2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride?
2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride has a molecular weight of 268.79 g/mol, XLogP of 2.32, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(1,3-dihydroisoindol-2-yl)-3-methylpentan-1-one;hydrochloride is sourced from PubChem (CID 119777884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).