3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide

C14H20N2O — CID 60837017

IUPAC3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
SMILESCC(N)CC(=O)N(C)C1CCc2ccccc21
InChIInChI=1S/C14H20N2O/c1-10(15)9-14(17)16(2)13-8-7-11-5-3-4-6-12(11)13/h3-6,10,13H,7-9,15H2,1-2H3
InChIKeyRLBGRMCBEOWKEC-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.87
Rot. Bonds3

About 3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide

3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide (PubChem CID 60837017) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
PubChem CID60837017
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
SMILESCC(N)CC(=O)N(C)C1CCc2ccccc21
InChIInChI=1S/C14H20N2O/c1-10(15)9-14(17)16(2)13-8-7-11-5-3-4-6-12(11)13/h3-6,10,13H,7-9,15H2,1-2H3
InChIKeyRLBGRMCBEOWKEC-UHFFFAOYSA-N
XLogP1.87
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-3,3-diphenylpropanamide
CID 42941217
3-methyl-5-[methyl(1,2,3,4-tetrahydronaphthalen-1-yl)amino]-5-oxopentanoic acid
CID 62966289
(2R)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbutanamide
CID 79011570
4-[2,3-dihydro-1H-inden-1-yl(methyl)amino]-4-oxobutanoic acid
CID 43578444
(2R)-2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N,3,3-trimethylbutanamide
CID 103928520
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-(N-methylanilino)acetamide
CID 52500328
3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide
CID 119746208
(2S)-2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 54980190
3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride
CID 119746207
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-methyl-2-naphthalen-1-ylacetamide
CID 97184949
N-(2,3-dihydro-1H-inden-1-yl)-N,2-dimethyl-3-(methylamino)propanamide
CID 79195999
2-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-4-methylsulfonylbutanamide
CID 43579578

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide?
The IUPAC name of 3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide (CID 60837017) is 3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide.
What is the SMILES notation for 3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide?
The canonical SMILES for 3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide is CC(N)CC(=O)N(C)C1CCc2ccccc21.
What is the InChIKey of 3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide?
The InChIKey is RLBGRMCBEOWKEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(15)9-14(17)16(2)13-8-7-11-5-3-4-6-12(11)13/h3-6,10,13H,7-9,15H2,1-2H3.
What are the key properties of 3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide?
3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide has a molecular weight of 232.33 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 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-1-yl)-N-methylbutanamide is sourced from PubChem (CID 60837017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).