N'-(2-propylphenyl)propanimidamide

C12H18N2 — CID 63177634

IUPACN'-(2-propylphenyl)propanimidamide
SMILESCCCc1ccccc1/N=C(/N)CC
InChIInChI=1S/C12H18N2/c1-3-7-10-8-5-6-9-11(10)14-12(13)4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyXSDFYHHAQMOUSX-UHFFFAOYSA-N
MW190.29 g/mol
LogP3.04
Rot. Bonds4

About N'-(2-propylphenyl)propanimidamide

N'-(2-propylphenyl)propanimidamide (PubChem CID 63177634) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is N'-(2-propylphenyl)propanimidamide.

Molecular Properties

Compound NameN'-(2-propylphenyl)propanimidamide
PubChem CID63177634
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC NameN'-(2-propylphenyl)propanimidamide
SMILESCCCc1ccccc1/N=C(/N)CC
InChIInChI=1S/C12H18N2/c1-3-7-10-8-5-6-9-11(10)14-12(13)4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H2,13,14)
InChIKeyXSDFYHHAQMOUSX-UHFFFAOYSA-N
XLogP3.04
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
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'-(2-propylphenyl)propanimidamide?
The IUPAC name of N'-(2-propylphenyl)propanimidamide (CID 63177634) is N'-(2-propylphenyl)propanimidamide.
What is the SMILES notation for N'-(2-propylphenyl)propanimidamide?
The canonical SMILES for N'-(2-propylphenyl)propanimidamide is CCCc1ccccc1/N=C(/N)CC.
What is the InChIKey of N'-(2-propylphenyl)propanimidamide?
The InChIKey is XSDFYHHAQMOUSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2/c1-3-7-10-8-5-6-9-11(10)14-12(13)4-2/h5-6,8-9H,3-4,7H2,1-2H3,(H2,13,14).
What are the key properties of N'-(2-propylphenyl)propanimidamide?
N'-(2-propylphenyl)propanimidamide has a molecular weight of 190.29 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'-(2-propylphenyl)propanimidamide is sourced from PubChem (CID 63177634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).