(Z)-3-(cyanomethylamino)prop-2-enimidamide

C5H8N4 — CID 167310395

IUPAC(Z)-3-(cyanomethylamino)prop-2-enimidamide
SMILES[H]/N=C(N)/C=C\NCC#N
InChIInChI=1S/C5H8N4/c6-2-4-9-3-1-5(7)8/h1,3,9H,4H2,(H3,7,8)/b3-1-
InChIKeyALDTYMRLPFGZKF-IWQZZHSRSA-N
MW124.15 g/mol
LogP-0.45
Rot. Bonds3

About (Z)-3-(cyanomethylamino)prop-2-enimidamide

(Z)-3-(cyanomethylamino)prop-2-enimidamide (PubChem CID 167310395) has the molecular formula C5H8N4 and a molecular weight of 124.15 g/mol. Its IUPAC name is (Z)-3-(cyanomethylamino)prop-2-enimidamide.

Molecular Properties

Compound Name(Z)-3-(cyanomethylamino)prop-2-enimidamide
PubChem CID167310395
Molecular FormulaC5H8N4
Molecular Weight124.15 g/mol
Exact Mass124.07
IUPAC Name(Z)-3-(cyanomethylamino)prop-2-enimidamide
SMILES[H]/N=C(N)/C=C\NCC#N
InChIInChI=1S/C5H8N4/c6-2-4-9-3-1-5(7)8/h1,3,9H,4H2,(H3,7,8)/b3-1-
InChIKeyALDTYMRLPFGZKF-IWQZZHSRSA-N
XLogP-0.45
TPSA85.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.15
LogP ≤ 5-0.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'cyanamide', '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 (Z)-3-(cyanomethylamino)prop-2-enimidamide?
The IUPAC name of (Z)-3-(cyanomethylamino)prop-2-enimidamide (CID 167310395) is (Z)-3-(cyanomethylamino)prop-2-enimidamide.
What is the SMILES notation for (Z)-3-(cyanomethylamino)prop-2-enimidamide?
The canonical SMILES for (Z)-3-(cyanomethylamino)prop-2-enimidamide is [H]/N=C(N)/C=C\NCC#N.
What is the InChIKey of (Z)-3-(cyanomethylamino)prop-2-enimidamide?
The InChIKey is ALDTYMRLPFGZKF-IWQZZHSRSA-N. The full InChI is InChI=1S/C5H8N4/c6-2-4-9-3-1-5(7)8/h1,3,9H,4H2,(H3,7,8)/b3-1-.
What are the key properties of (Z)-3-(cyanomethylamino)prop-2-enimidamide?
(Z)-3-(cyanomethylamino)prop-2-enimidamide has a molecular weight of 124.15 g/mol, XLogP of -0.45, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(cyanomethylamino)prop-2-enimidamide is sourced from PubChem (CID 167310395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).