1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-imine

C13H18N2 — CID 63178838

IUPAC1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-imine
SMILES[H]/N=C(/N1CCc2ccccc21)C(C)(C)C
InChIInChI=1S/C13H18N2/c1-13(2,3)12(14)15-9-8-10-6-4-5-7-11(10)15/h4-7,14H,8-9H2,1-3H3/b14-12+
InChIKeyRFKXTOVIQVCRID-WYMLVPIESA-N
MW202.30 g/mol
LogP3.07
Rot. Bonds

About 1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-imine

1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-imine (PubChem CID 63178838) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-imine.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-imine
PubChem CID63178838
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC Name1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-imine
SMILES[H]/N=C(/N1CCc2ccccc21)C(C)(C)C
InChIInChI=1S/C13H18N2/c1-13(2,3)12(14)15-9-8-10-6-4-5-7-11(10)15/h4-7,14H,8-9H2,1-3H3/b14-12+
InChIKeyRFKXTOVIQVCRID-WYMLVPIESA-N
XLogP3.07
TPSA27.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-imine?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-imine (CID 63178838) is 1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-imine.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-imine?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-imine is [H]/N=C(/N1CCc2ccccc21)C(C)(C)C.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-imine?
The InChIKey is RFKXTOVIQVCRID-WYMLVPIESA-N. The full InChI is InChI=1S/C13H18N2/c1-13(2,3)12(14)15-9-8-10-6-4-5-7-11(10)15/h4-7,14H,8-9H2,1-3H3/b14-12+.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-imine?
1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-imine has a molecular weight of 202.30 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2,2-dimethylpropan-1-imine is sourced from PubChem (CID 63178838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).