2,2-dimethyl-N-methylidene-N'-(2-methylprop-1-enyl)propanimidamide

C10H18N2 — CID 126603063

IUPAC2,2-dimethyl-N-methylidene-N'-(2-methylprop-1-enyl)propanimidamide
SMILESC=N/C(=N\C=C(C)C)C(C)(C)C
InChIInChI=1S/C10H18N2/c1-8(2)7-12-9(11-6)10(3,4)5/h7H,6H2,1-5H3/b12-9-
InChIKeyYRXWMJXWSCRILF-XFXZXTDPSA-N
MW166.27 g/mol
LogP3.06
Rot. Bonds1

About 2,2-dimethyl-N-methylidene-N'-(2-methylprop-1-enyl)propanimidamide

2,2-dimethyl-N-methylidene-N'-(2-methylprop-1-enyl)propanimidamide (PubChem CID 126603063) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-methylidene-N'-(2-methylprop-1-enyl)propanimidamide.

Molecular Properties

Compound Name2,2-dimethyl-N-methylidene-N'-(2-methylprop-1-enyl)propanimidamide
PubChem CID126603063
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name2,2-dimethyl-N-methylidene-N'-(2-methylprop-1-enyl)propanimidamide
SMILESC=N/C(=N\C=C(C)C)C(C)(C)C
InChIInChI=1S/C10H18N2/c1-8(2)7-12-9(11-6)10(3,4)5/h7H,6H2,1-5H3/b12-9-
InChIKeyYRXWMJXWSCRILF-XFXZXTDPSA-N
XLogP3.06
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 53.06
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 2,2-dimethyl-N-methylidene-N'-(2-methylprop-1-enyl)propanimidamide?
The IUPAC name of 2,2-dimethyl-N-methylidene-N'-(2-methylprop-1-enyl)propanimidamide (CID 126603063) is 2,2-dimethyl-N-methylidene-N'-(2-methylprop-1-enyl)propanimidamide.
What is the SMILES notation for 2,2-dimethyl-N-methylidene-N'-(2-methylprop-1-enyl)propanimidamide?
The canonical SMILES for 2,2-dimethyl-N-methylidene-N'-(2-methylprop-1-enyl)propanimidamide is C=N/C(=N\C=C(C)C)C(C)(C)C.
What is the InChIKey of 2,2-dimethyl-N-methylidene-N'-(2-methylprop-1-enyl)propanimidamide?
The InChIKey is YRXWMJXWSCRILF-XFXZXTDPSA-N. The full InChI is InChI=1S/C10H18N2/c1-8(2)7-12-9(11-6)10(3,4)5/h7H,6H2,1-5H3/b12-9-.
What are the key properties of 2,2-dimethyl-N-methylidene-N'-(2-methylprop-1-enyl)propanimidamide?
2,2-dimethyl-N-methylidene-N'-(2-methylprop-1-enyl)propanimidamide has a molecular weight of 166.27 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-methylidene-N'-(2-methylprop-1-enyl)propanimidamide is sourced from PubChem (CID 126603063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).