N'-methyl-N-(2-methylprop-1-enyl)methanimidamide

C6H12N2 — CID 123505276

IUPACN'-methyl-N-(2-methylprop-1-enyl)methanimidamide
SMILESC/N=C/NC=C(C)C
InChIInChI=1S/C6H12N2/c1-6(2)4-8-5-7-3/h4-5H,1-3H3,(H,7,8)
InChIKeyYPKZSRMFNWUYQK-UHFFFAOYSA-N
MW112.18 g/mol
LogP1.16
Rot. Bonds2

About N'-methyl-N-(2-methylprop-1-enyl)methanimidamide

N'-methyl-N-(2-methylprop-1-enyl)methanimidamide (PubChem CID 123505276) has the molecular formula C6H12N2 and a molecular weight of 112.18 g/mol. Its IUPAC name is N'-methyl-N-(2-methylprop-1-enyl)methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(2-methylprop-1-enyl)methanimidamide
PubChem CID123505276
Molecular FormulaC6H12N2
Molecular Weight112.18 g/mol
Exact Mass112.10
IUPAC NameN'-methyl-N-(2-methylprop-1-enyl)methanimidamide
SMILESC/N=C/NC=C(C)C
InChIInChI=1S/C6H12N2/c1-6(2)4-8-5-7-3/h4-5H,1-3H3,(H,7,8)
InChIKeyYPKZSRMFNWUYQK-UHFFFAOYSA-N
XLogP1.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500112.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
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'-methyl-N-(2-methylprop-1-enyl)methanimidamide?
The IUPAC name of N'-methyl-N-(2-methylprop-1-enyl)methanimidamide (CID 123505276) is N'-methyl-N-(2-methylprop-1-enyl)methanimidamide.
What is the SMILES notation for N'-methyl-N-(2-methylprop-1-enyl)methanimidamide?
The canonical SMILES for N'-methyl-N-(2-methylprop-1-enyl)methanimidamide is C/N=C/NC=C(C)C.
What is the InChIKey of N'-methyl-N-(2-methylprop-1-enyl)methanimidamide?
The InChIKey is YPKZSRMFNWUYQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2/c1-6(2)4-8-5-7-3/h4-5H,1-3H3,(H,7,8).
What are the key properties of N'-methyl-N-(2-methylprop-1-enyl)methanimidamide?
N'-methyl-N-(2-methylprop-1-enyl)methanimidamide has a molecular weight of 112.18 g/mol, XLogP of 1.16, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(2-methylprop-1-enyl)methanimidamide is sourced from PubChem (CID 123505276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).