1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one

C17H23NO — CID 116599561

IUPAC1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
SMILESNCC1(CC(=O)Cc2ccc3c(c2)CCC3)CCC1
InChIInChI=1S/C17H23NO/c18-12-17(7-2-8-17)11-16(19)10-13-5-6-14-3-1-4-15(14)9-13/h5-6,9H,1-4,7-8,10-12,18H2
InChIKeyYUQNOQCOMHIGHR-UHFFFAOYSA-N
MW257.38 g/mol
LogP2.81
Rot. Bonds5

About 1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one

1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one (PubChem CID 116599561) has the molecular formula C17H23NO and a molecular weight of 257.38 g/mol. Its IUPAC name is 1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one.

Molecular Properties

Compound Name1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
PubChem CID116599561
Molecular FormulaC17H23NO
Molecular Weight257.38 g/mol
Exact Mass257.18
IUPAC Name1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
SMILESNCC1(CC(=O)Cc2ccc3c(c2)CCC3)CCC1
InChIInChI=1S/C17H23NO/c18-12-17(7-2-8-17)11-16(19)10-13-5-6-14-3-1-4-15(14)9-13/h5-6,9H,1-4,7-8,10-12,18H2
InChIKeyYUQNOQCOMHIGHR-UHFFFAOYSA-N
XLogP2.81
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(aminomethyl)cyclohexyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one
CID 116614445
1-[1-(aminomethyl)cyclohexyl]-3-(3,4-dimethylphenyl)propan-2-one
CID 116614430
2-[1-(aminomethyl)cyclobutyl]-N-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 81167866
6-amino-1-(2,3-dihydro-1H-inden-5-yl)hexan-2-one
CID 116572068
2-(5,6,7,8-tetrahydronaphthalen-2-yl)acetamide
CID 25653
4-amino-1-(2,3-dihydro-1H-inden-5-yl)-4-methylpentan-2-one
CID 116581175
1-(2,3-dihydro-1H-inden-5-yl)-4-pyrrolidin-3-ylbutan-2-one
CID 116606081
N-[[1-(aminomethyl)cyclopropyl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)ethanamine
CID 115244287
1-[1-(aminomethyl)cyclobutyl]-3-thiophen-2-ylpropan-2-one
CID 116599394
2-(2,3-dihydro-1H-inden-5-yl)-1-(1-ethoxycyclohexyl)ethanone
CID 116748406
N-cyclopropyl-2-(2,3-dihydro-1H-inden-5-yl)acetamide
CID 8623360
1-cyclobutyl-2-(2,3-dihydro-1H-inden-5-yl)ethanone
CID 64982201

Frequently Asked Questions

What is the IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one?
The IUPAC name of 1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one (CID 116599561) is 1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one.
What is the SMILES notation for 1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one?
The canonical SMILES for 1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one is NCC1(CC(=O)Cc2ccc3c(c2)CCC3)CCC1.
What is the InChIKey of 1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one?
The InChIKey is YUQNOQCOMHIGHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO/c18-12-17(7-2-8-17)11-16(19)10-13-5-6-14-3-1-4-15(14)9-13/h5-6,9H,1-4,7-8,10-12,18H2.
What are the key properties of 1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one?
1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one has a molecular weight of 257.38 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(aminomethyl)cyclobutyl]-3-(2,3-dihydro-1H-inden-5-yl)propan-2-one is sourced from PubChem (CID 116599561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).