N'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide

C7H14N2 — CID 90315791

IUPACN'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide
SMILESC/N=C/NC(C)=C(C)C
InChIInChI=1S/C7H14N2/c1-6(2)7(3)9-5-8-4/h5H,1-4H3,(H,8,9)
InChIKeyXZLSWLAIQYCLGP-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.55
Rot. Bonds2

About N'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide

N'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide (PubChem CID 90315791) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide
PubChem CID90315791
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide
SMILESC/N=C/NC(C)=C(C)C
InChIInChI=1S/C7H14N2/c1-6(2)7(3)9-5-8-4/h5H,1-4H3,(H,8,9)
InChIKeyXZLSWLAIQYCLGP-UHFFFAOYSA-N
XLogP1.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.55
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-(3-methylbut-2-en-2-yl)methanimidamide?
The IUPAC name of N'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide (CID 90315791) is N'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide.
What is the SMILES notation for N'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide?
The canonical SMILES for N'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide is C/N=C/NC(C)=C(C)C.
What is the InChIKey of N'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide?
The InChIKey is XZLSWLAIQYCLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-6(2)7(3)9-5-8-4/h5H,1-4H3,(H,8,9).
What are the key properties of N'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide?
N'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-(3-methylbut-2-en-2-yl)methanimidamide is sourced from PubChem (CID 90315791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).