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

C14H19N — CID 79177968

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-3-methylbut-2-en-1-amine
SMILESCC(C)=CC(N)C1Cc2ccccc2C1
InChIInChI=1S/C14H19N/c1-10(2)7-14(15)13-8-11-5-3-4-6-12(11)9-13/h3-7,13-14H,8-9,15H2,1-2H3
InChIKeyFXUZWXSDTSAVMZ-UHFFFAOYSA-N
MW201.31 g/mol
LogP2.69
Rot. Bonds2

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

1-(2,3-dihydro-1H-inden-2-yl)-3-methylbut-2-en-1-amine (PubChem CID 79177968) has the molecular formula C14H19N and a molecular weight of 201.31 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-3-methylbut-2-en-1-amine.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-3-methylbut-2-en-1-amine
PubChem CID79177968
Molecular FormulaC14H19N
Molecular Weight201.31 g/mol
Exact Mass201.15
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-3-methylbut-2-en-1-amine
SMILESCC(C)=CC(N)C1Cc2ccccc2C1
InChIInChI=1S/C14H19N/c1-10(2)7-14(15)13-8-11-5-3-4-6-12(11)9-13/h3-7,13-14H,8-9,15H2,1-2H3
InChIKeyFXUZWXSDTSAVMZ-UHFFFAOYSA-N
XLogP2.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.31
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-methylbut-2-en-1-amine?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-3-methylbut-2-en-1-amine (CID 79177968) is 1-(2,3-dihydro-1H-inden-2-yl)-3-methylbut-2-en-1-amine.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-3-methylbut-2-en-1-amine?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-3-methylbut-2-en-1-amine is CC(C)=CC(N)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-3-methylbut-2-en-1-amine?
The InChIKey is FXUZWXSDTSAVMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N/c1-10(2)7-14(15)13-8-11-5-3-4-6-12(11)9-13/h3-7,13-14H,8-9,15H2,1-2H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-3-methylbut-2-en-1-amine?
1-(2,3-dihydro-1H-inden-2-yl)-3-methylbut-2-en-1-amine has a molecular weight of 201.31 g/mol, XLogP of 2.69, 2 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-2-yl)-3-methylbut-2-en-1-amine is sourced from PubChem (CID 79177968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).