3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one

C14H17NO — CID 167541272

IUPAC3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one
SMILESCC(=O)C(N)CC1=CCc2ccc(C)cc21
InChIInChI=1S/C14H17NO/c1-9-3-4-11-5-6-12(13(11)7-9)8-14(15)10(2)16/h3-4,6-7,14H,5,8,15H2,1-2H3
InChIKeyDNDXKOALMPXMKA-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.24
Rot. Bonds3

About 3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one

3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one (PubChem CID 167541272) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one.

Molecular Properties

Compound Name3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one
PubChem CID167541272
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one
SMILESCC(=O)C(N)CC1=CCc2ccc(C)cc21
InChIInChI=1S/C14H17NO/c1-9-3-4-11-5-6-12(13(11)7-9)8-14(15)10(2)16/h3-4,6-7,14H,5,8,15H2,1-2H3
InChIKeyDNDXKOALMPXMKA-UHFFFAOYSA-N
XLogP2.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one
CID 167541271
1-[3-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]phenyl]ethanone
CID 71233327
2-(5-methyl-3H-inden-1-yl)propanoic acid
CID 105454291
1-[5-[2-(2,4-dimethylphenyl)ethyl]-6-methyl-3H-inden-1-yl]propan-2-ol
CID 130284415
ethane;3-(3-ethenylhexyl)-5-methyl-1H-indene
CID 142929947
ethyl (2S)-2-acetamido-3-(3H-inden-1-yl)propanoate
CID 157471590
6-[[3-[(6-methyl-3H-inden-1-yl)methyl]phenyl]methyl]-1,2,3,4-tetrahydronaphthalene
CID 123515554
(3S)-3-amino-4-(2-ethylphenyl)butan-2-one
CID 177035778
2-amino-3-(4-methylphenyl)propanoic acid;hydrobromide
CID 172898206
ethane;3-ethyl-6-methyl-1H-indene;methanol
CID 91275305
7-methyl-3,4-dihydronaphthalene-1-carboxylic acid
CID 82075337
(3S)-3-methyl-3-(methylamino)-4-(5-methyl-3H-inden-1-yl)butan-2-one
CID 158197263

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one?
The IUPAC name of 3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one (CID 167541272) is 3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one.
What is the SMILES notation for 3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one?
The canonical SMILES for 3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one is CC(=O)C(N)CC1=CCc2ccc(C)cc21.
What is the InChIKey of 3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one?
The InChIKey is DNDXKOALMPXMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-9-3-4-11-5-6-12(13(11)7-9)8-14(15)10(2)16/h3-4,6-7,14H,5,8,15H2,1-2H3.
What are the key properties of 3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one?
3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one has a molecular weight of 215.30 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-(6-methyl-3H-inden-1-yl)butan-2-one is sourced from PubChem (CID 167541272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).