N'-(4-propylphenyl)cyclopropanecarboximidamide

C13H18N2 — CID 63176140

IUPACN'-(4-propylphenyl)cyclopropanecarboximidamide
SMILESCCCc1ccc(/N=C(\N)C2CC2)cc1
InChIInChI=1S/C13H18N2/c1-2-3-10-4-8-12(9-5-10)15-13(14)11-6-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H2,14,15)
InChIKeyWKDLSOSDBLGADX-UHFFFAOYSA-N
MW202.30 g/mol
LogP3.04
Rot. Bonds4

About N'-(4-propylphenyl)cyclopropanecarboximidamide

N'-(4-propylphenyl)cyclopropanecarboximidamide (PubChem CID 63176140) has the molecular formula C13H18N2 and a molecular weight of 202.30 g/mol. Its IUPAC name is N'-(4-propylphenyl)cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-(4-propylphenyl)cyclopropanecarboximidamide
PubChem CID63176140
Molecular FormulaC13H18N2
Molecular Weight202.30 g/mol
Exact Mass202.15
IUPAC NameN'-(4-propylphenyl)cyclopropanecarboximidamide
SMILESCCCc1ccc(/N=C(\N)C2CC2)cc1
InChIInChI=1S/C13H18N2/c1-2-3-10-4-8-12(9-5-10)15-13(14)11-6-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H2,14,15)
InChIKeyWKDLSOSDBLGADX-UHFFFAOYSA-N
XLogP3.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 53.04
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 N'-(4-propylphenyl)cyclopropanecarboximidamide?
The IUPAC name of N'-(4-propylphenyl)cyclopropanecarboximidamide (CID 63176140) is N'-(4-propylphenyl)cyclopropanecarboximidamide.
What is the SMILES notation for N'-(4-propylphenyl)cyclopropanecarboximidamide?
The canonical SMILES for N'-(4-propylphenyl)cyclopropanecarboximidamide is CCCc1ccc(/N=C(\N)C2CC2)cc1.
What is the InChIKey of N'-(4-propylphenyl)cyclopropanecarboximidamide?
The InChIKey is WKDLSOSDBLGADX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2/c1-2-3-10-4-8-12(9-5-10)15-13(14)11-6-7-11/h4-5,8-9,11H,2-3,6-7H2,1H3,(H2,14,15).
What are the key properties of N'-(4-propylphenyl)cyclopropanecarboximidamide?
N'-(4-propylphenyl)cyclopropanecarboximidamide has a molecular weight of 202.30 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-propylphenyl)cyclopropanecarboximidamide is sourced from PubChem (CID 63176140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).