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

C14H20N2O — CID 119746208

IUPAC3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide
SMILESCC(N)CC(=O)N(C)C1Cc2ccccc2C1
InChIInChI=1S/C14H20N2O/c1-10(15)7-14(17)16(2)13-8-11-5-3-4-6-12(11)9-13/h3-6,10,13H,7-9,15H2,1-2H3
InChIKeyNIVLECLBMHRTRE-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.35
Rot. Bonds3

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

3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide (PubChem CID 119746208) 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-2-yl)-N-methylbutanamide.

Molecular Properties

Compound Name3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide
PubChem CID119746208
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide
SMILESCC(N)CC(=O)N(C)C1Cc2ccccc2C1
InChIInChI=1S/C14H20N2O/c1-10(15)7-14(17)16(2)13-8-11-5-3-4-6-12(11)9-13/h3-6,10,13H,7-9,15H2,1-2H3
InChIKeyNIVLECLBMHRTRE-UHFFFAOYSA-N
XLogP1.35
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 ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide;hydrochloride
CID 119746207
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-4-ylbutanamide
CID 119746206
3-amino-N-(2,3-dihydro-1H-inden-1-yl)-N-methylbutanamide
CID 60837017
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-3-piperidin-3-ylbutanamide;hydrochloride
CID 119746195
N-(2,3-dihydro-1H-inden-2-yl)-N-methyl-4-(methylamino)butanamide
CID 119746184
3-amino-N-(4-methoxycyclohexyl)-N-methylbutanamide
CID 119786339
(3R)-3-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-N-methylbutanamide
CID 95147060
N-(2,3-dihydro-1H-inden-2-yl)-2-[(4S)-2,5-dioxoimidazolidin-4-yl]-N-methylacetamide
CID 94646397
(2R)-2-[2,3-dihydro-1H-inden-2-yl(methyl)amino]-3-hydroxypropanamide
CID 54123680
3-amino-N-methyl-3-phenyl-N-(thiolan-3-yl)propanamide
CID 43296719
2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pentanamide
CID 119325725
3-amino-N,2-dimethyl-3-phenyl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)propanamide
CID 119787279

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide?
The IUPAC name of 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide (CID 119746208) is 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide.
What is the SMILES notation for 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide?
The canonical SMILES for 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide is CC(N)CC(=O)N(C)C1Cc2ccccc2C1.
What is the InChIKey of 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide?
The InChIKey is NIVLECLBMHRTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(15)7-14(17)16(2)13-8-11-5-3-4-6-12(11)9-13/h3-6,10,13H,7-9,15H2,1-2H3.
What are the key properties of 3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide?
3-amino-N-(2,3-dihydro-1H-inden-2-yl)-N-methylbutanamide has a molecular weight of 232.33 g/mol, XLogP of 1.35, 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-2-yl)-N-methylbutanamide is sourced from PubChem (CID 119746208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).