N'-(2-methylprop-1-enyl)-N-prop-2-enylidenemethanimidamide

C8H12N2 — CID 126668932

IUPACN'-(2-methylprop-1-enyl)-N-prop-2-enylidenemethanimidamide
SMILESC=C/C=N/C=N/C=C(C)C
InChIInChI=1S/C8H12N2/c1-4-5-9-7-10-6-8(2)3/h4-7H,1H2,2-3H3/b9-5+,10-7+
InChIKeyQQXRNKYALDRCPH-FWMCCXIMSA-N
MW136.20 g/mol
LogP2.20
Rot. Bonds3

About N'-(2-methylprop-1-enyl)-N-prop-2-enylidenemethanimidamide

N'-(2-methylprop-1-enyl)-N-prop-2-enylidenemethanimidamide (PubChem CID 126668932) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is N'-(2-methylprop-1-enyl)-N-prop-2-enylidenemethanimidamide.

Molecular Properties

Compound NameN'-(2-methylprop-1-enyl)-N-prop-2-enylidenemethanimidamide
PubChem CID126668932
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC NameN'-(2-methylprop-1-enyl)-N-prop-2-enylidenemethanimidamide
SMILESC=C/C=N/C=N/C=C(C)C
InChIInChI=1S/C8H12N2/c1-4-5-9-7-10-6-8(2)3/h4-7H,1H2,2-3H3/b9-5+,10-7+
InChIKeyQQXRNKYALDRCPH-FWMCCXIMSA-N
XLogP2.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 52.20
H-Bond Donors ≤ 50
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-methylprop-1-enyl)-N-prop-2-enylidenemethanimidamide?
The IUPAC name of N'-(2-methylprop-1-enyl)-N-prop-2-enylidenemethanimidamide (CID 126668932) is N'-(2-methylprop-1-enyl)-N-prop-2-enylidenemethanimidamide.
What is the SMILES notation for N'-(2-methylprop-1-enyl)-N-prop-2-enylidenemethanimidamide?
The canonical SMILES for N'-(2-methylprop-1-enyl)-N-prop-2-enylidenemethanimidamide is C=C/C=N/C=N/C=C(C)C.
What is the InChIKey of N'-(2-methylprop-1-enyl)-N-prop-2-enylidenemethanimidamide?
The InChIKey is QQXRNKYALDRCPH-FWMCCXIMSA-N. The full InChI is InChI=1S/C8H12N2/c1-4-5-9-7-10-6-8(2)3/h4-7H,1H2,2-3H3/b9-5+,10-7+.
What are the key properties of N'-(2-methylprop-1-enyl)-N-prop-2-enylidenemethanimidamide?
N'-(2-methylprop-1-enyl)-N-prop-2-enylidenemethanimidamide has a molecular weight of 136.20 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2-methylprop-1-enyl)-N-prop-2-enylidenemethanimidamide is sourced from PubChem (CID 126668932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).