3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide

C12H17N3 — CID 43367984

IUPAC3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCc2ccccc21
InChIInChI=1S/C12H17N3/c1-9(12(13)14)8-15-7-6-10-4-2-3-5-11(10)15/h2-5,9H,6-8H2,1H3,(H3,13,14)
InChIKeyGKZMALCALDBOKS-UHFFFAOYSA-N
MW203.29 g/mol
LogP1.62
Rot. Bonds3

About 3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide

3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide (PubChem CID 43367984) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide.

Molecular Properties

Compound Name3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide
PubChem CID43367984
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)CN1CCc2ccccc21
InChIInChI=1S/C12H17N3/c1-9(12(13)14)8-15-7-6-10-4-2-3-5-11(10)15/h2-5,9H,6-8H2,1H3,(H3,13,14)
InChIKeyGKZMALCALDBOKS-UHFFFAOYSA-N
XLogP1.62
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide 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

2-(2,3-dihydroindol-1-ylmethyl)-3,3,3-trifluoropropanimidamide
CID 103370547
3-(2,3-dihydroindol-1-yl)-2-methylpropan-1-amine
CID 43174926
N'-hydroxy-2-methyl-3-(2,3,4,5-tetrahydro-1-benzazepin-1-yl)propanimidamide
CID 77069826
1-(chloromethyl)-2,3-dihydroindole
CID 59108457
1-(2,3-dihydroindol-1-yl)-3,3-dimethylbutan-2-amine
CID 16790029
1-(2,3-dihydroindol-1-yl)-3-(propan-2-ylamino)propan-2-ol
CID 43165785
3-[4-(2-fluorophenyl)piperazin-1-yl]-2-methylpropanimidamide
CID 54937463
4-(2,3-dihydroindol-1-yl)butan-2-amine
CID 60748123
2-(2,3-dihydroindol-1-yl)ethanamine
CID 1072384
4-(2,3-dihydroindol-1-ylmethyl)-3-methylbenzenecarboximidamide
CID 114483353
1-(3-methylbutyl)-2,3-dihydroindole
CID 143815180
3-[2-(aminomethyl)-3,4-dihydro-2H-quinolin-1-yl]-2-methylpropanamide
CID 55162347

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide?
The IUPAC name of 3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide (CID 43367984) is 3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide.
What is the SMILES notation for 3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide?
The canonical SMILES for 3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide is [H]/N=C(\N)C(C)CN1CCc2ccccc21.
What is the InChIKey of 3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide?
The InChIKey is GKZMALCALDBOKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-9(12(13)14)8-15-7-6-10-4-2-3-5-11(10)15/h2-5,9H,6-8H2,1H3,(H3,13,14).
What are the key properties of 3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide?
3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide has a molecular weight of 203.29 g/mol, XLogP of 1.62, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydroindol-1-yl)-2-methylpropanimidamide is sourced from PubChem (CID 43367984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).