(Z)-3-amino-N'-methyl-3-(methylamino)prop-2-enimidamide

C5H12N4 — CID 134332301

IUPAC(Z)-3-amino-N'-methyl-3-(methylamino)prop-2-enimidamide
SMILESC/N=C(N)/C=C(/N)NC
InChIInChI=1S/C5H12N4/c1-8-4(6)3-5(7)9-2/h3,8H,6H2,1-2H3,(H2,7,9)/b4-3-
InChIKeyNTDZSHIEHFDLEJ-ARJAWSKDSA-N
MW128.18 g/mol
LogP-1.01
Rot. Bonds2

About (Z)-3-amino-N'-methyl-3-(methylamino)prop-2-enimidamide

(Z)-3-amino-N'-methyl-3-(methylamino)prop-2-enimidamide (PubChem CID 134332301) has the molecular formula C5H12N4 and a molecular weight of 128.18 g/mol. Its IUPAC name is (Z)-3-amino-N'-methyl-3-(methylamino)prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-amino-N'-methyl-3-(methylamino)prop-2-enimidamide
PubChem CID134332301
Molecular FormulaC5H12N4
Molecular Weight128.18 g/mol
Exact Mass128.11
IUPAC Name(Z)-3-amino-N'-methyl-3-(methylamino)prop-2-enimidamide
SMILESC/N=C(N)/C=C(/N)NC
InChIInChI=1S/C5H12N4/c1-8-4(6)3-5(7)9-2/h3,8H,6H2,1-2H3,(H2,7,9)/b4-3-
InChIKeyNTDZSHIEHFDLEJ-ARJAWSKDSA-N
XLogP-1.01
TPSA76.43 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.18
LogP ≤ 5-1.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 (Z)-3-amino-N'-methyl-3-(methylamino)prop-2-enimidamide?
The IUPAC name of (Z)-3-amino-N'-methyl-3-(methylamino)prop-2-enimidamide (CID 134332301) is (Z)-3-amino-N'-methyl-3-(methylamino)prop-2-enimidamide.
What is the SMILES notation for (Z)-3-amino-N'-methyl-3-(methylamino)prop-2-enimidamide?
The canonical SMILES for (Z)-3-amino-N'-methyl-3-(methylamino)prop-2-enimidamide is C/N=C(N)/C=C(/N)NC.
What is the InChIKey of (Z)-3-amino-N'-methyl-3-(methylamino)prop-2-enimidamide?
The InChIKey is NTDZSHIEHFDLEJ-ARJAWSKDSA-N. The full InChI is InChI=1S/C5H12N4/c1-8-4(6)3-5(7)9-2/h3,8H,6H2,1-2H3,(H2,7,9)/b4-3-.
What are the key properties of (Z)-3-amino-N'-methyl-3-(methylamino)prop-2-enimidamide?
(Z)-3-amino-N'-methyl-3-(methylamino)prop-2-enimidamide has a molecular weight of 128.18 g/mol, XLogP of -1.01, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-amino-N'-methyl-3-(methylamino)prop-2-enimidamide is sourced from PubChem (CID 134332301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).