3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide

C16H24N2O — CID 115154399

IUPAC3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide
SMILESCC(N)CC(=O)N(C)CCc1ccc2c(c1)CCC2
InChIInChI=1S/C16H24N2O/c1-12(17)10-16(19)18(2)9-8-13-6-7-14-4-3-5-15(14)11-13/h6-7,11-12H,3-5,8-10,17H2,1-2H3
InChIKeyCBUBQJKJAYCHJB-UHFFFAOYSA-N
MW260.38 g/mol
LogP1.91
Rot. Bonds5

About 3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide

3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide (PubChem CID 115154399) has the molecular formula C16H24N2O and a molecular weight of 260.38 g/mol. Its IUPAC name is 3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide
PubChem CID115154399
Molecular FormulaC16H24N2O
Molecular Weight260.38 g/mol
Exact Mass260.19
IUPAC Name3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide
SMILESCC(N)CC(=O)N(C)CCc1ccc2c(c1)CCC2
InChIInChI=1S/C16H24N2O/c1-12(17)10-16(19)18(2)9-8-13-6-7-14-4-3-5-15(14)11-13/h6-7,11-12H,3-5,8-10,17H2,1-2H3
InChIKeyCBUBQJKJAYCHJB-UHFFFAOYSA-N
XLogP1.91
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-[2-(3-bromophenyl)ethyl]-N-methylbutanamide
CID 115154426
2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]propanoic acid
CID 117042005
3-amino-N-[2-(4-ethoxyphenyl)ethyl]-N-methylbutanamide
CID 115154407
methyl 2-[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]-2-oxoacetate
CID 115142607
2-(2,3-dihydro-1H-inden-5-yl)-N,N-dimethylethanamine
CID 117043734
N'-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N'-methylmethanediamine
CID 115226180
[2-(2,3-dihydro-1H-inden-5-yl)ethyl-methylamino]methanol
CID 115229439
4-(2,3-dihydro-1H-inden-5-yl)-N-methylbutanehydrazide
CID 116845082
1-cyano-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylcyclopropane-1-carboxamide
CID 115181731
N-[2-(2-hydroxyphenyl)ethyl]-N-methyl-2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 75454981
3-[methyl-[2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetyl]amino]propanoic acid
CID 60989072
4-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]-methylamino]butanoic acid
CID 43240409

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide?
The IUPAC name of 3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide (CID 115154399) is 3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide.
What is the SMILES notation for 3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide?
The canonical SMILES for 3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide is CC(N)CC(=O)N(C)CCc1ccc2c(c1)CCC2.
What is the InChIKey of 3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide?
The InChIKey is CBUBQJKJAYCHJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O/c1-12(17)10-16(19)18(2)9-8-13-6-7-14-4-3-5-15(14)11-13/h6-7,11-12H,3-5,8-10,17H2,1-2H3.
What are the key properties of 3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide?
3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide has a molecular weight of 260.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(2,3-dihydro-1H-inden-5-yl)ethyl]-N-methylbutanamide is sourced from PubChem (CID 115154399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).