N'-methyl-N-[(E)-4-(methylamino)but-1-enyl]methanimidamide

C7H15N3 — CID 118617249

IUPACN'-methyl-N-[(E)-4-(methylamino)but-1-enyl]methanimidamide
SMILESC/N=C/N/C=C/CCNC
InChIInChI=1S/C7H15N3/c1-8-5-3-4-6-10-7-9-2/h4,6-8H,3,5H2,1-2H3,(H,9,10)/b6-4+
InChIKeyBBIGQGFHFUKZRJ-GQCTYLIASA-N
MW141.22 g/mol
LogP0.36
Rot. Bonds5

About N'-methyl-N-[(E)-4-(methylamino)but-1-enyl]methanimidamide

N'-methyl-N-[(E)-4-(methylamino)but-1-enyl]methanimidamide (PubChem CID 118617249) has the molecular formula C7H15N3 and a molecular weight of 141.22 g/mol. Its IUPAC name is N'-methyl-N-[(E)-4-(methylamino)but-1-enyl]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(E)-4-(methylamino)but-1-enyl]methanimidamide
PubChem CID118617249
Molecular FormulaC7H15N3
Molecular Weight141.22 g/mol
Exact Mass141.13
IUPAC NameN'-methyl-N-[(E)-4-(methylamino)but-1-enyl]methanimidamide
SMILESC/N=C/N/C=C/CCNC
InChIInChI=1S/C7H15N3/c1-8-5-3-4-6-10-7-9-2/h4,6-8H,3,5H2,1-2H3,(H,9,10)/b6-4+
InChIKeyBBIGQGFHFUKZRJ-GQCTYLIASA-N
XLogP0.36
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.22
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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)-4-(methylamino)but-1-enyl]methanimidamide?
The IUPAC name of N'-methyl-N-[(E)-4-(methylamino)but-1-enyl]methanimidamide (CID 118617249) is N'-methyl-N-[(E)-4-(methylamino)but-1-enyl]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(E)-4-(methylamino)but-1-enyl]methanimidamide?
The canonical SMILES for N'-methyl-N-[(E)-4-(methylamino)but-1-enyl]methanimidamide is C/N=C/N/C=C/CCNC.
What is the InChIKey of N'-methyl-N-[(E)-4-(methylamino)but-1-enyl]methanimidamide?
The InChIKey is BBIGQGFHFUKZRJ-GQCTYLIASA-N. The full InChI is InChI=1S/C7H15N3/c1-8-5-3-4-6-10-7-9-2/h4,6-8H,3,5H2,1-2H3,(H,9,10)/b6-4+.
What are the key properties of N'-methyl-N-[(E)-4-(methylamino)but-1-enyl]methanimidamide?
N'-methyl-N-[(E)-4-(methylamino)but-1-enyl]methanimidamide has a molecular weight of 141.22 g/mol, XLogP of 0.36, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(E)-4-(methylamino)but-1-enyl]methanimidamide is sourced from PubChem (CID 118617249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).