1-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbut-2-en-1-amine

C15H21N — CID 79179061

IUPAC1-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbut-2-en-1-amine
SMILESCNC(C=C(C)C)C1CCc2ccccc21
InChIInChI=1S/C15H21N/c1-11(2)10-15(16-3)14-9-8-12-6-4-5-7-13(12)14/h4-7,10,14-16H,8-9H2,1-3H3
InChIKeyGEZFFXVWQVYDFA-UHFFFAOYSA-N
MW215.34 g/mol
LogP3.27
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbut-2-en-1-amine

1-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbut-2-en-1-amine (PubChem CID 79179061) has the molecular formula C15H21N and a molecular weight of 215.34 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbut-2-en-1-amine
PubChem CID79179061
Molecular FormulaC15H21N
Molecular Weight215.34 g/mol
Exact Mass215.17
IUPAC Name1-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbut-2-en-1-amine
SMILESCNC(C=C(C)C)C1CCc2ccccc21
InChIInChI=1S/C15H21N/c1-11(2)10-15(16-3)14-9-8-12-6-4-5-7-13(12)14/h4-7,10,14-16H,8-9H2,1-3H3
InChIKeyGEZFFXVWQVYDFA-UHFFFAOYSA-N
XLogP3.27
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbut-2-en-1-amine 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-(2,3-dihydro-1-benzothiophen-3-yl)-N,3-dimethylbut-2-en-1-amine
CID 105163222
(1R)-1-propan-2-yl-2,3-dihydro-1H-indene
CID 59961726
N-methyl-2,3-dihydro-1H-inden-1-amine;hydrochloride
CID 18627798
1-(2,3-dihydro-1H-inden-1-yl)propan-1-ol
CID 18690782
1-(2,3-dihydro-1H-inden-1-yl)ethanamine
CID 23332534
1-(2-chlorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylmethanamine
CID 65403390
1-(2,3-dihydro-1H-inden-1-yl)-N-methyl-2-propan-2-yloxyethanamine
CID 79575248
1-(3,4-dihydro-2H-chromen-3-yl)-N,3-dimethylbut-2-en-1-amine
CID 79180443
tris(2,3-dihydro-1H-inden-1-ol);ethane
CID 19770523
1-(2,3-dichlorophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylmethanamine
CID 65406109
2-(4-bromophenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylethanamine
CID 65404361
1-(2,6-difluoro-3-methylphenyl)-1-(2,3-dihydro-1H-inden-1-yl)-N-methylmethanamine
CID 82802818

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbut-2-en-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbut-2-en-1-amine (CID 79179061) is 1-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbut-2-en-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbut-2-en-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbut-2-en-1-amine is CNC(C=C(C)C)C1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbut-2-en-1-amine?
The InChIKey is GEZFFXVWQVYDFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N/c1-11(2)10-15(16-3)14-9-8-12-6-4-5-7-13(12)14/h4-7,10,14-16H,8-9H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbut-2-en-1-amine?
1-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbut-2-en-1-amine has a molecular weight of 215.34 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-1-yl)-N,3-dimethylbut-2-en-1-amine is sourced from PubChem (CID 79179061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).