1-propan-2-ylindole-4-carboximidamide

C12H15N3 — CID 29038159

IUPAC1-propan-2-ylindole-4-carboximidamide
SMILES[H]/N=C(\N)c1cccc2c1ccn2C(C)C
InChIInChI=1S/C12H15N3/c1-8(2)15-7-6-9-10(12(13)14)4-3-5-11(9)15/h3-8H,1-2H3,(H3,13,14)
InChIKeyCKGXVDJJSVXUOI-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.51
Rot. Bonds2

About 1-propan-2-ylindole-4-carboximidamide

1-propan-2-ylindole-4-carboximidamide (PubChem CID 29038159) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 1-propan-2-ylindole-4-carboximidamide.

Molecular Properties

Compound Name1-propan-2-ylindole-4-carboximidamide
PubChem CID29038159
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name1-propan-2-ylindole-4-carboximidamide
SMILES[H]/N=C(\N)c1cccc2c1ccn2C(C)C
InChIInChI=1S/C12H15N3/c1-8(2)15-7-6-9-10(12(13)14)4-3-5-11(9)15/h3-8H,1-2H3,(H3,13,14)
InChIKeyCKGXVDJJSVXUOI-UHFFFAOYSA-N
XLogP2.51
TPSA54.80 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.51
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'}

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Related Compounds

1-hydroxyindole-4-carboximidamide
CID 68773031
1-(1-propan-2-ylindol-4-yl)ethanethiol
CID 135200256
N-[3-(dimethylamino)propyl]-1-propan-2-ylindole-4-carboxamide
CID 71702177
2-methyloctyl 1-propan-2-ylindole-4-carboxylate
CID 166326641
9-phenylcarbazole-4-carboximidamide
CID 142504972
2-(propan-2-ylamino)pyridine-3-carboximidamide
CID 22416553
(3R)-2-(1-propan-2-ylindole-4-carbonyl)-3,4-dihydro-1H-isoquinoline-3-carboxylic acid
CID 166401325
N-(1H-imidazol-2-yl)-1-propan-2-ylindole-4-carboxamide
CID 71706054
2-methyl-N-(1-propan-2-ylindol-4-yl)propanamide
CID 71706625
3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-8-carboximidamide
CID 83881575
biphenylene-1,8-dicarboximidamide
CID 71696896
2-[2-hydroxypropyl(methyl)amino]benzenecarboximidamide
CID 62334639

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-ylindole-4-carboximidamide?
The IUPAC name of 1-propan-2-ylindole-4-carboximidamide (CID 29038159) is 1-propan-2-ylindole-4-carboximidamide.
What is the SMILES notation for 1-propan-2-ylindole-4-carboximidamide?
The canonical SMILES for 1-propan-2-ylindole-4-carboximidamide is [H]/N=C(\N)c1cccc2c1ccn2C(C)C.
What is the InChIKey of 1-propan-2-ylindole-4-carboximidamide?
The InChIKey is CKGXVDJJSVXUOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-8(2)15-7-6-9-10(12(13)14)4-3-5-11(9)15/h3-8H,1-2H3,(H3,13,14).
What are the key properties of 1-propan-2-ylindole-4-carboximidamide?
1-propan-2-ylindole-4-carboximidamide has a molecular weight of 201.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-ylindole-4-carboximidamide is sourced from PubChem (CID 29038159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).