N,N'-dimethyl-N-(2-methylprop-2-enyl)ethanimidamide

C8H16N2 — CID 166786295

IUPACN,N'-dimethyl-N-(2-methylprop-2-enyl)ethanimidamide
SMILESC=C(C)CN(C)/C(C)=N/C
InChIInChI=1S/C8H16N2/c1-7(2)6-10(5)8(3)9-4/h1,6H2,2-5H3/b9-8+
InChIKeyBYIFKCXWVCKBDP-CMDGGOBGSA-N
MW140.23 g/mol
LogP1.54
Rot. Bonds2

About N,N'-dimethyl-N-(2-methylprop-2-enyl)ethanimidamide

N,N'-dimethyl-N-(2-methylprop-2-enyl)ethanimidamide (PubChem CID 166786295) has the molecular formula C8H16N2 and a molecular weight of 140.23 g/mol. Its IUPAC name is N,N'-dimethyl-N-(2-methylprop-2-enyl)ethanimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-N-(2-methylprop-2-enyl)ethanimidamide
PubChem CID166786295
Molecular FormulaC8H16N2
Molecular Weight140.23 g/mol
Exact Mass140.13
IUPAC NameN,N'-dimethyl-N-(2-methylprop-2-enyl)ethanimidamide
SMILESC=C(C)CN(C)/C(C)=N/C
InChIInChI=1S/C8H16N2/c1-7(2)6-10(5)8(3)9-4/h1,6H2,2-5H3/b9-8+
InChIKeyBYIFKCXWVCKBDP-CMDGGOBGSA-N
XLogP1.54
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 51.54
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N'-dimethyl-N-(2-methylprop-2-enyl)ethanimidamide?
The IUPAC name of N,N'-dimethyl-N-(2-methylprop-2-enyl)ethanimidamide (CID 166786295) is N,N'-dimethyl-N-(2-methylprop-2-enyl)ethanimidamide.
What is the SMILES notation for N,N'-dimethyl-N-(2-methylprop-2-enyl)ethanimidamide?
The canonical SMILES for N,N'-dimethyl-N-(2-methylprop-2-enyl)ethanimidamide is C=C(C)CN(C)/C(C)=N/C.
What is the InChIKey of N,N'-dimethyl-N-(2-methylprop-2-enyl)ethanimidamide?
The InChIKey is BYIFKCXWVCKBDP-CMDGGOBGSA-N. The full InChI is InChI=1S/C8H16N2/c1-7(2)6-10(5)8(3)9-4/h1,6H2,2-5H3/b9-8+.
What are the key properties of N,N'-dimethyl-N-(2-methylprop-2-enyl)ethanimidamide?
N,N'-dimethyl-N-(2-methylprop-2-enyl)ethanimidamide has a molecular weight of 140.23 g/mol, XLogP of 1.54, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-dimethyl-N-(2-methylprop-2-enyl)ethanimidamide is sourced from PubChem (CID 166786295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).