N'-methyl-N-[(E)-3-methylbut-1-enyl]methanimidamide

C7H14N2 — CID 90370990

IUPACN'-methyl-N-[(E)-3-methylbut-1-enyl]methanimidamide
SMILESC/N=C/N/C=C/C(C)C
InChIInChI=1S/C7H14N2/c1-7(2)4-5-9-6-8-3/h4-7H,1-3H3,(H,8,9)/b5-4+
InChIKeyVITGVYRIORPAMP-SNAWJCMRSA-N
MW126.20 g/mol
LogP1.40
Rot. Bonds3

About N'-methyl-N-[(E)-3-methylbut-1-enyl]methanimidamide

N'-methyl-N-[(E)-3-methylbut-1-enyl]methanimidamide (PubChem CID 90370990) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-methyl-N-[(E)-3-methylbut-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(E)-3-methylbut-1-enyl]methanimidamide
PubChem CID90370990
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-methyl-N-[(E)-3-methylbut-1-enyl]methanimidamide
SMILESC/N=C/N/C=C/C(C)C
InChIInChI=1S/C7H14N2/c1-7(2)4-5-9-6-8-3/h4-7H,1-3H3,(H,8,9)/b5-4+
InChIKeyVITGVYRIORPAMP-SNAWJCMRSA-N
XLogP1.40
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.40
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-[(E)-3-methylbut-1-enyl]methanimidamide?
The IUPAC name of N'-methyl-N-[(E)-3-methylbut-1-enyl]methanimidamide (CID 90370990) is N'-methyl-N-[(E)-3-methylbut-1-enyl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(E)-3-methylbut-1-enyl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(E)-3-methylbut-1-enyl]methanimidamide is C/N=C/N/C=C/C(C)C.
What is the InChIKey of N'-methyl-N-[(E)-3-methylbut-1-enyl]methanimidamide?
The InChIKey is VITGVYRIORPAMP-SNAWJCMRSA-N. The full InChI is InChI=1S/C7H14N2/c1-7(2)4-5-9-6-8-3/h4-7H,1-3H3,(H,8,9)/b5-4+.
What are the key properties of N'-methyl-N-[(E)-3-methylbut-1-enyl]methanimidamide?
N'-methyl-N-[(E)-3-methylbut-1-enyl]methanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(E)-3-methylbut-1-enyl]methanimidamide is sourced from PubChem (CID 90370990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).