3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride

C13H19ClN2O — CID 119678186

IUPAC3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ccc2c(c1)CCC2.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-9(14)7-13(16)15-12-6-5-10-3-2-4-11(10)8-12;/h5-6,8-9H,2-4,7,14H2,1H3,(H,15,16);1H
InChIKeyVUPQDIDJSRCSEI-UHFFFAOYSA-N
MW254.76 g/mol
LogP2.27
Rot. Bonds3

About 3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride

3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride (PubChem CID 119678186) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride
PubChem CID119678186
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride
SMILESCC(N)CC(=O)Nc1ccc2c(c1)CCC2.Cl
InChIInChI=1S/C13H18N2O.ClH/c1-9(14)7-13(16)15-12-6-5-10-3-2-4-11(10)8-12;/h5-6,8-9H,2-4,7,14H2,1H3,(H,15,16);1H
InChIKeyVUPQDIDJSRCSEI-UHFFFAOYSA-N
XLogP2.27
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-methoxybutanamide;hydrochloride
CID 120586674
2-amino-N-(2,3-dihydro-1H-inden-5-yl)propanamide
CID 24704164
N-(2,3-dihydro-1H-inden-5-yl)-3,3-bis(phenylsulfanyl)propanamide
CID 123563159
N-(5,6,7,8-tetrahydronaphthalen-2-yl)propanamide
CID 59873074
N-(2,3-dihydro-1H-inden-5-yl)-2-sulfanylacetamide
CID 60650065
N-(2,3-dihydro-1H-inden-5-yl)-4-(propan-2-ylamino)butanamide
CID 60849517
3-amino-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)butanamide
CID 60837196
N-(2,3-dihydro-1H-inden-5-yl)-2-(3-hydroxybutan-2-ylsulfanyl)acetamide
CID 103705933
(3Z)-3-amino-N-(2,3-dihydro-1H-inden-5-yl)-3-hydroxyiminopropanamide
CID 43156060
3-amino-N-[4-(carbamoylamino)phenyl]butanamide;hydrochloride
CID 119701459
3-amino-N-(2,3-dihydro-1H-inden-5-yl)-2-methyl-3-phenylpropanamide;hydrochloride
CID 119678167
3-amino-N-(3,4-difluorophenyl)butanamide
CID 60835672

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride?
The IUPAC name of 3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride (CID 119678186) is 3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride.
What is the SMILES notation for 3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride?
The canonical SMILES for 3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride is CC(N)CC(=O)Nc1ccc2c(c1)CCC2.Cl.
What is the InChIKey of 3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride?
The InChIKey is VUPQDIDJSRCSEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O.ClH/c1-9(14)7-13(16)15-12-6-5-10-3-2-4-11(10)8-12;/h5-6,8-9H,2-4,7,14H2,1H3,(H,15,16);1H.
What are the key properties of 3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride?
3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride has a molecular weight of 254.76 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2,3-dihydro-1H-inden-5-yl)butanamide;hydrochloride is sourced from PubChem (CID 119678186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).