N'-(2-methylprop-1-enyl)ethane-1,2-diimine

C6H10N2 — CID 89375208

IUPACN'-(2-methylprop-1-enyl)ethane-1,2-diimine
SMILES[H]/N=C/C=N/C=C(C)C
InChIInChI=1S/C6H10N2/c1-6(2)5-8-4-3-7/h3-5,7H,1-2H3/b7-3+,8-4+
InChIKeyPHNIRCUDQKKXLO-FCXRPNKRSA-N
MW110.16 g/mol
LogP1.63
Rot. Bonds2

About N'-(2-methylprop-1-enyl)ethane-1,2-diimine

N'-(2-methylprop-1-enyl)ethane-1,2-diimine (PubChem CID 89375208) has the molecular formula C6H10N2 and a molecular weight of 110.16 g/mol. Its IUPAC name is N'-(2-methylprop-1-enyl)ethane-1,2-diimine.

Molecular Properties

Compound NameN'-(2-methylprop-1-enyl)ethane-1,2-diimine
PubChem CID89375208
Molecular FormulaC6H10N2
Molecular Weight110.16 g/mol
Exact Mass110.08
IUPAC NameN'-(2-methylprop-1-enyl)ethane-1,2-diimine
SMILES[H]/N=C/C=N/C=C(C)C
InChIInChI=1S/C6H10N2/c1-6(2)5-8-4-3-7/h3-5,7H,1-2H3/b7-3+,8-4+
InChIKeyPHNIRCUDQKKXLO-FCXRPNKRSA-N
XLogP1.63
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2-methylprop-1-enyl)ethane-1,2-diimine?
The IUPAC name of N'-(2-methylprop-1-enyl)ethane-1,2-diimine (CID 89375208) is N'-(2-methylprop-1-enyl)ethane-1,2-diimine.
What is the SMILES notation for N'-(2-methylprop-1-enyl)ethane-1,2-diimine?
The canonical SMILES for N'-(2-methylprop-1-enyl)ethane-1,2-diimine is [H]/N=C/C=N/C=C(C)C.
What is the InChIKey of N'-(2-methylprop-1-enyl)ethane-1,2-diimine?
The InChIKey is PHNIRCUDQKKXLO-FCXRPNKRSA-N. The full InChI is InChI=1S/C6H10N2/c1-6(2)5-8-4-3-7/h3-5,7H,1-2H3/b7-3+,8-4+.
What are the key properties of N'-(2-methylprop-1-enyl)ethane-1,2-diimine?
N'-(2-methylprop-1-enyl)ethane-1,2-diimine has a molecular weight of 110.16 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylprop-1-enyl)ethane-1,2-diimine is sourced from PubChem (CID 89375208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).