3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one

C14H20N2O — CID 64685929

IUPAC3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
SMILESCC1Cc2ccccc2N1C(=O)CC(C)(C)N
InChIInChI=1S/C14H20N2O/c1-10-8-11-6-4-5-7-12(11)16(10)13(17)9-14(2,3)15/h4-7,10H,8-9,15H2,1-3H3
InChIKeySNXDWRFMFNAWAM-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.09
Rot. Bonds2

About 3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one

3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one (PubChem CID 64685929) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one.

Molecular Properties

Compound Name3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
PubChem CID64685929
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
SMILESCC1Cc2ccccc2N1C(=O)CC(C)(C)N
InChIInChI=1S/C14H20N2O/c1-10-8-11-6-4-5-7-12(11)16(10)13(17)9-14(2,3)15/h4-7,10H,8-9,15H2,1-3H3
InChIKeySNXDWRFMFNAWAM-UHFFFAOYSA-N
XLogP2.09
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[2-[(2S)-2-methyl-2,3-dihydroindol-1-yl]-2-oxoethyl] acetate
CID 9390506
1,2-bis(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 73142226
2-(2-tert-butylanilino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 109008215
2-(methylamino)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone;hydrochloride
CID 119669437
3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)propan-1-one
CID 110838977
2-(2-acetylanilino)-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethanone
CID 9103764
1-(2-methyl-2,3-dihydroindol-1-yl)-2-[4-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]-1,4-diazepan-1-yl]ethanone
CID 3438367
2-(4-hydroxyphenyl)-1-(2-methyl-2,3-dihydroindol-1-yl)ethanone
CID 78838862
1-[2-(2-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]cyclopentane-1-carboxylic acid
CID 43437065
4-amino-3-methoxy-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one
CID 103154159
1-(2-methyl-2,3-dihydroindol-1-yl)-3-[2-(trifluoromethyl)anilino]propan-1-one
CID 109040701
tert-butyl N-[4-(2-methyl-2,3-dihydroindol-1-yl)-4-oxobutyl]carbamate
CID 51217085

Frequently Asked Questions

What is the IUPAC name of 3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one?
The IUPAC name of 3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one (CID 64685929) is 3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one.
What is the SMILES notation for 3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one?
The canonical SMILES for 3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one is CC1Cc2ccccc2N1C(=O)CC(C)(C)N.
What is the InChIKey of 3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one?
The InChIKey is SNXDWRFMFNAWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-8-11-6-4-5-7-12(11)16(10)13(17)9-14(2,3)15/h4-7,10H,8-9,15H2,1-3H3.
What are the key properties of 3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one?
3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one has a molecular weight of 232.33 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-methyl-1-(2-methyl-2,3-dihydroindol-1-yl)butan-1-one is sourced from PubChem (CID 64685929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).