N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-aminobutanamide;hydrochloride

C13H25ClN2O — CID 119806159

IUPACN-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-aminobutanamide;hydrochloride
SMILESCC(N)CC(=O)NC1CCC2CCCC2C1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-9(14)7-13(16)15-12-6-5-10-3-2-4-11(10)8-12;/h9-12H,2-8,14H2,1H3,(H,15,16);1H
InChIKeyPBPYAHRDBDCGPZ-UHFFFAOYSA-N
MW260.81 g/mol
LogP2.23
Rot. Bonds3

About N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-aminobutanamide;hydrochloride

N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-aminobutanamide;hydrochloride (PubChem CID 119806159) has the molecular formula C13H25ClN2O and a molecular weight of 260.81 g/mol. Its IUPAC name is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-aminobutanamide;hydrochloride.

Molecular Properties

Compound NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-aminobutanamide;hydrochloride
PubChem CID119806159
Molecular FormulaC13H25ClN2O
Molecular Weight260.81 g/mol
Exact Mass260.17
IUPAC NameN-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-aminobutanamide;hydrochloride
SMILESCC(N)CC(=O)NC1CCC2CCCC2C1.Cl
InChIInChI=1S/C13H24N2O.ClH/c1-9(14)7-13(16)15-12-6-5-10-3-2-4-11(10)8-12;/h9-12H,2-8,14H2,1H3,(H,15,16);1H
InChIKeyPBPYAHRDBDCGPZ-UHFFFAOYSA-N
XLogP2.23
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.81
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-aminobutanamide;hydrochloride with MolForge

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Related Compounds

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CID 94423965
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3-amino-N-(4-methylcyclohexyl)butanamide
CID 60835833
N-[(3aR,5R,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl]acetamide
CID 131102398
3-amino-N-(2-methyloxan-4-yl)butanamide;hydrochloride
CID 120873943
3-amino-N-(thiolan-3-yl)butanamide
CID 103811759
3-amino-N-(azepan-4-yl)butanamide
CID 130643383
3-amino-N-(1-propan-2-ylpiperidin-4-yl)butanamide
CID 60842653
3-amino-N-[3-(cyclohexylamino)-3-oxopropyl]butanamide;hydrochloride
CID 119741948
3-amino-N-(1-phenylpiperidin-4-yl)butanamide;dihydrochloride
CID 119863025
2-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)propanamide
CID 43227053

Frequently Asked Questions

What is the IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-aminobutanamide;hydrochloride?
The IUPAC name of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-aminobutanamide;hydrochloride (CID 119806159) is N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-aminobutanamide;hydrochloride.
What is the SMILES notation for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-aminobutanamide;hydrochloride?
The canonical SMILES for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-aminobutanamide;hydrochloride is CC(N)CC(=O)NC1CCC2CCCC2C1.Cl.
What is the InChIKey of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-aminobutanamide;hydrochloride?
The InChIKey is PBPYAHRDBDCGPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O.ClH/c1-9(14)7-13(16)15-12-6-5-10-3-2-4-11(10)8-12;/h9-12H,2-8,14H2,1H3,(H,15,16);1H.
What are the key properties of N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-aminobutanamide;hydrochloride?
N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-aminobutanamide;hydrochloride has a molecular weight of 260.81 g/mol, XLogP of 2.23, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3a,4,5,6,7,7a-octahydro-1H-inden-5-yl)-3-aminobutanamide;hydrochloride is sourced from PubChem (CID 119806159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).