3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile

C15H18N2O — CID 115247864

IUPAC3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile
SMILESCN(CC1(C#N)COC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H18N2O/c1-17(9-15(8-16)10-18-11-15)14-6-5-12-3-2-4-13(12)7-14/h5-7H,2-4,9-11H2,1H3
InChIKeyLIIZWIQWYPBENS-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.15
Rot. Bonds3

About 3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile

3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile (PubChem CID 115247864) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile.

Molecular Properties

Compound Name3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile
PubChem CID115247864
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile
SMILESCN(CC1(C#N)COC1)c1ccc2c(c1)CCC2
InChIInChI=1S/C15H18N2O/c1-17(9-15(8-16)10-18-11-15)14-6-5-12-3-2-4-13(12)7-14/h5-7H,2-4,9-11H2,1H3
InChIKeyLIIZWIQWYPBENS-UHFFFAOYSA-N
XLogP2.15
TPSA36.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

Analyze 3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile 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

3-[[3,4-dihydro-2H-chromen-6-yl(methyl)amino]methyl]oxetane-3-carbonitrile
CID 115247900
3-[(N,4-dimethylanilino)methyl]oxetane-3-carbonitrile
CID 115247842
N-[[3-(aminomethyl)oxetan-3-yl]methyl]-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 115249300
3-[(4-ethylsulfanyl-N-methylanilino)methyl]oxetane-3-carbonitrile
CID 115247904
3-[2,3-dihydro-1H-inden-5-yl(methyl)amino]propanenitrile
CID 115230731
N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]-2,3-dihydro-1H-inden-5-amine
CID 115244605
N-(methoxymethyl)-N-methyl-2,3-dihydro-1H-inden-5-amine
CID 115258329
3-(2,3-dihydro-1H-inden-5-yl)oxetane-3-carbonitrile
CID 116873126
N-[[1-(aminomethyl)cyclobutyl]methyl]-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115245672
2-[2,3-dihydro-1H-inden-5-yl(methyl)amino]-2-methylpropanenitrile
CID 115129107
N-(methoxymethyl)-N-methyl-5,6,7,8-tetrahydronaphthalen-2-amine
CID 115258314
1-(2,3-dihydro-1H-inden-5-ylmethyl)cyclooctane-1-carbonitrile
CID 80601961

Frequently Asked Questions

What is the IUPAC name of 3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile?
The IUPAC name of 3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile (CID 115247864) is 3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile.
What is the SMILES notation for 3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile?
The canonical SMILES for 3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile is CN(CC1(C#N)COC1)c1ccc2c(c1)CCC2.
What is the InChIKey of 3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile?
The InChIKey is LIIZWIQWYPBENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-17(9-15(8-16)10-18-11-15)14-6-5-12-3-2-4-13(12)7-14/h5-7H,2-4,9-11H2,1H3.
What are the key properties of 3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile?
3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile has a molecular weight of 242.32 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2,3-dihydro-1H-inden-5-yl(methyl)amino]methyl]oxetane-3-carbonitrile is sourced from PubChem (CID 115247864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).