N'-(4-butan-2-ylphenyl)indole-1-carboximidamide

C19H21N3 — CID 22627545

IUPACN'-(4-butan-2-ylphenyl)indole-1-carboximidamide
SMILESCCC(C)c1ccc(/N=C(\N)n2ccc3ccccc32)cc1
InChIInChI=1S/C19H21N3/c1-3-14(2)15-8-10-17(11-9-15)21-19(20)22-13-12-16-6-4-5-7-18(16)22/h4-14H,3H2,1-2H3,(H2,20,21)
InChIKeyWEUHCFZLIGHAQS-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.65
Rot. Bonds3

About N'-(4-butan-2-ylphenyl)indole-1-carboximidamide

N'-(4-butan-2-ylphenyl)indole-1-carboximidamide (PubChem CID 22627545) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is N'-(4-butan-2-ylphenyl)indole-1-carboximidamide.

Molecular Properties

Compound NameN'-(4-butan-2-ylphenyl)indole-1-carboximidamide
PubChem CID22627545
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC NameN'-(4-butan-2-ylphenyl)indole-1-carboximidamide
SMILESCCC(C)c1ccc(/N=C(\N)n2ccc3ccccc32)cc1
InChIInChI=1S/C19H21N3/c1-3-14(2)15-8-10-17(11-9-15)21-19(20)22-13-12-16-6-4-5-7-18(16)22/h4-14H,3H2,1-2H3,(H2,20,21)
InChIKeyWEUHCFZLIGHAQS-UHFFFAOYSA-N
XLogP4.65
TPSA43.31 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.65
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of N'-(4-butan-2-ylphenyl)indole-1-carboximidamide?
The IUPAC name of N'-(4-butan-2-ylphenyl)indole-1-carboximidamide (CID 22627545) is N'-(4-butan-2-ylphenyl)indole-1-carboximidamide.
What is the SMILES notation for N'-(4-butan-2-ylphenyl)indole-1-carboximidamide?
The canonical SMILES for N'-(4-butan-2-ylphenyl)indole-1-carboximidamide is CCC(C)c1ccc(/N=C(\N)n2ccc3ccccc32)cc1.
What is the InChIKey of N'-(4-butan-2-ylphenyl)indole-1-carboximidamide?
The InChIKey is WEUHCFZLIGHAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-3-14(2)15-8-10-17(11-9-15)21-19(20)22-13-12-16-6-4-5-7-18(16)22/h4-14H,3H2,1-2H3,(H2,20,21).
What are the key properties of N'-(4-butan-2-ylphenyl)indole-1-carboximidamide?
N'-(4-butan-2-ylphenyl)indole-1-carboximidamide has a molecular weight of 291.40 g/mol, XLogP of 4.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-butan-2-ylphenyl)indole-1-carboximidamide is sourced from PubChem (CID 22627545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).