N'-methyl-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide

C6H11N3 — CID 118973315

IUPACN'-methyl-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide
SMILESC=C(C)N/C=N/C=N/C
InChIInChI=1S/C6H11N3/c1-6(2)9-5-8-4-7-3/h4-5H,1H2,2-3H3,(H,7,8,9)
InChIKeyVCIZRDJCPIKHCC-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.80
Rot. Bonds3

About N'-methyl-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide

N'-methyl-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide (PubChem CID 118973315) has the molecular formula C6H11N3 and a molecular weight of 125.17 g/mol. Its IUPAC name is N'-methyl-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide.

Molecular Properties

Compound NameN'-methyl-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide
PubChem CID118973315
Molecular FormulaC6H11N3
Molecular Weight125.17 g/mol
Exact Mass125.10
IUPAC NameN'-methyl-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide
SMILESC=C(C)N/C=N/C=N/C
InChIInChI=1S/C6H11N3/c1-6(2)9-5-8-4-7-3/h4-5H,1H2,2-3H3,(H,7,8,9)
InChIKeyVCIZRDJCPIKHCC-UHFFFAOYSA-N
XLogP0.80
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.80
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-[(prop-1-en-2-ylamino)methylidene]methanimidamide?
The IUPAC name of N'-methyl-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide (CID 118973315) is N'-methyl-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide.
What is the SMILES notation for N'-methyl-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide?
The canonical SMILES for N'-methyl-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide is C=C(C)N/C=N/C=N/C.
What is the InChIKey of N'-methyl-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide?
The InChIKey is VCIZRDJCPIKHCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3/c1-6(2)9-5-8-4-7-3/h4-5H,1H2,2-3H3,(H,7,8,9).
What are the key properties of N'-methyl-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide?
N'-methyl-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide has a molecular weight of 125.17 g/mol, XLogP of 0.80, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methyl-N-[(prop-1-en-2-ylamino)methylidene]methanimidamide is sourced from PubChem (CID 118973315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).