N,N'-dimethyl-N-(2-methylprop-1-enyl)methanimidamide

C7H14N2 — CID 123341683

IUPACN,N'-dimethyl-N-(2-methylprop-1-enyl)methanimidamide
SMILESC/N=C/N(C)C=C(C)C
InChIInChI=1S/C7H14N2/c1-7(2)5-9(4)6-8-3/h5-6H,1-4H3/b8-6+
InChIKeyXWIIOPBMTHONFG-SOFGYWHQSA-N
MW126.20 g/mol
LogP1.50
Rot. Bonds2

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

N,N'-dimethyl-N-(2-methylprop-1-enyl)methanimidamide (PubChem CID 123341683) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N,N'-dimethyl-N-(2-methylprop-1-enyl)methanimidamide.

Molecular Properties

Compound NameN,N'-dimethyl-N-(2-methylprop-1-enyl)methanimidamide
PubChem CID123341683
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN,N'-dimethyl-N-(2-methylprop-1-enyl)methanimidamide
SMILESC/N=C/N(C)C=C(C)C
InChIInChI=1S/C7H14N2/c1-7(2)5-9(4)6-8-3/h5-6H,1-4H3/b8-6+
InChIKeyXWIIOPBMTHONFG-SOFGYWHQSA-N
XLogP1.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.50
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,N'-dimethyl-N-(2-methylprop-1-enyl)methanimidamide?
The IUPAC name of N,N'-dimethyl-N-(2-methylprop-1-enyl)methanimidamide (CID 123341683) is N,N'-dimethyl-N-(2-methylprop-1-enyl)methanimidamide.
What is the SMILES notation for N,N'-dimethyl-N-(2-methylprop-1-enyl)methanimidamide?
The canonical SMILES for N,N'-dimethyl-N-(2-methylprop-1-enyl)methanimidamide is C/N=C/N(C)C=C(C)C.
What is the InChIKey of N,N'-dimethyl-N-(2-methylprop-1-enyl)methanimidamide?
The InChIKey is XWIIOPBMTHONFG-SOFGYWHQSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(2)5-9(4)6-8-3/h5-6H,1-4H3/b8-6+.
What are the key properties of N,N'-dimethyl-N-(2-methylprop-1-enyl)methanimidamide?
N,N'-dimethyl-N-(2-methylprop-1-enyl)methanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.50, 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-1-enyl)methanimidamide is sourced from PubChem (CID 123341683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).