(E)-3-[amino(methyl)amino]prop-2-enimidate

C4H8N3O- — CID 163933832

IUPAC(E)-3-[amino(methyl)amino]prop-2-enimidate
SMILES[H]/N=C([O-])/C=C/N(C)N
InChIInChI=1S/C4H9N3O/c1-7(6)3-2-4(5)8/h2-3H,6H2,1H3,(H2,5,8)/p-1/b3-2+
InChIKeyGIHIPHLPWXLMBO-NSCUHMNNSA-M
MW114.13 g/mol
LogP-1.36
Rot. Bonds2

About (E)-3-[amino(methyl)amino]prop-2-enimidate

(E)-3-[amino(methyl)amino]prop-2-enimidate (PubChem CID 163933832) has the molecular formula C4H8N3O- and a molecular weight of 114.13 g/mol. Its IUPAC name is (E)-3-[amino(methyl)amino]prop-2-enimidate.

Molecular Properties

Compound Name(E)-3-[amino(methyl)amino]prop-2-enimidate
PubChem CID163933832
Molecular FormulaC4H8N3O-
Molecular Weight114.13 g/mol
Exact Mass114.07
IUPAC Name(E)-3-[amino(methyl)amino]prop-2-enimidate
SMILES[H]/N=C([O-])/C=C/N(C)N
InChIInChI=1S/C4H9N3O/c1-7(6)3-2-4(5)8/h2-3H,6H2,1H3,(H2,5,8)/p-1/b3-2+
InChIKeyGIHIPHLPWXLMBO-NSCUHMNNSA-M
XLogP-1.36
TPSA76.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.13
LogP ≤ 5-1.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

CID 15722406
CID 15722406
methyl (E)-3-(dimethylamino)prop-2-enimidothioate;hydroiodide
CID 11659083
methylphosphanylmethanimidamide
CID 59610794
ethanimidate;methane
CID 162090399
copper ethanimidate
CID 159106233
N-amino-N-methylpropanimidamide
CID 123454598
(E)-2-[amino(methyl)amino]-3-hydroxybut-2-enimidoyl bromide
CID 170600404
[1-(dimethylamino)-4-imino-4-nitrobut-2-enylidene]vanadium
CID 164971380
1-methyl-1-[(1E,3Z)-penta-1,3-dienyl]hydrazine
CID 174111731
1-buta-1,3-dienyl-1-methylhydrazine
CID 91065871
3-[amino(carbamimidoyl)amino]prop-2-enoic acid
CID 87517406
1-amino-1-[(1Z,3Z)-penta-1,3-dienyl]guanidine
CID 130320508

Frequently Asked Questions

What is the IUPAC name of (E)-3-[amino(methyl)amino]prop-2-enimidate?
The IUPAC name of (E)-3-[amino(methyl)amino]prop-2-enimidate (CID 163933832) is (E)-3-[amino(methyl)amino]prop-2-enimidate.
What is the SMILES notation for (E)-3-[amino(methyl)amino]prop-2-enimidate?
The canonical SMILES for (E)-3-[amino(methyl)amino]prop-2-enimidate is [H]/N=C([O-])/C=C/N(C)N.
What is the InChIKey of (E)-3-[amino(methyl)amino]prop-2-enimidate?
The InChIKey is GIHIPHLPWXLMBO-NSCUHMNNSA-M. The full InChI is InChI=1S/C4H9N3O/c1-7(6)3-2-4(5)8/h2-3H,6H2,1H3,(H2,5,8)/p-1/b3-2+.
What are the key properties of (E)-3-[amino(methyl)amino]prop-2-enimidate?
(E)-3-[amino(methyl)amino]prop-2-enimidate has a molecular weight of 114.13 g/mol, XLogP of -1.36, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[amino(methyl)amino]prop-2-enimidate is sourced from PubChem (CID 163933832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).