N-(aminomethylidene)-N'-(4-propan-2-ylphenyl)methanimidamide;ethane

C13H21N3 — CID 143993393

IUPACN-(aminomethylidene)-N'-(4-propan-2-ylphenyl)methanimidamide;ethane
SMILESCC.CC(C)c1ccc(/N=C/N=C/N)cc1
InChIInChI=1S/C11H15N3.C2H6/c1-9(2)10-3-5-11(6-4-10)14-8-13-7-12;1-2/h3-9H,1-2H3,(H2,12,13,14);1-2H3
InChIKeySZNBMJQWDDHLJN-UHFFFAOYSA-N
MW219.33 g/mol
LogP3.48
Rot. Bonds3

About N-(aminomethylidene)-N'-(4-propan-2-ylphenyl)methanimidamide;ethane

N-(aminomethylidene)-N'-(4-propan-2-ylphenyl)methanimidamide;ethane (PubChem CID 143993393) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is N-(aminomethylidene)-N'-(4-propan-2-ylphenyl)methanimidamide;ethane.

Molecular Properties

Compound NameN-(aminomethylidene)-N'-(4-propan-2-ylphenyl)methanimidamide;ethane
PubChem CID143993393
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC NameN-(aminomethylidene)-N'-(4-propan-2-ylphenyl)methanimidamide;ethane
SMILESCC.CC(C)c1ccc(/N=C/N=C/N)cc1
InChIInChI=1S/C11H15N3.C2H6/c1-9(2)10-3-5-11(6-4-10)14-8-13-7-12;1-2/h3-9H,1-2H3,(H2,12,13,14);1-2H3
InChIKeySZNBMJQWDDHLJN-UHFFFAOYSA-N
XLogP3.48
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 53.48
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-(aminomethylidene)-N'-(4-propan-2-ylphenyl)methanimidamide;ethane?
The IUPAC name of N-(aminomethylidene)-N'-(4-propan-2-ylphenyl)methanimidamide;ethane (CID 143993393) is N-(aminomethylidene)-N'-(4-propan-2-ylphenyl)methanimidamide;ethane.
What is the SMILES notation for N-(aminomethylidene)-N'-(4-propan-2-ylphenyl)methanimidamide;ethane?
The canonical SMILES for N-(aminomethylidene)-N'-(4-propan-2-ylphenyl)methanimidamide;ethane is CC.CC(C)c1ccc(/N=C/N=C/N)cc1.
What is the InChIKey of N-(aminomethylidene)-N'-(4-propan-2-ylphenyl)methanimidamide;ethane?
The InChIKey is SZNBMJQWDDHLJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3.C2H6/c1-9(2)10-3-5-11(6-4-10)14-8-13-7-12;1-2/h3-9H,1-2H3,(H2,12,13,14);1-2H3.
What are the key properties of N-(aminomethylidene)-N'-(4-propan-2-ylphenyl)methanimidamide;ethane?
N-(aminomethylidene)-N'-(4-propan-2-ylphenyl)methanimidamide;ethane has a molecular weight of 219.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethylidene)-N'-(4-propan-2-ylphenyl)methanimidamide;ethane is sourced from PubChem (CID 143993393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).