2-N-[(Z)-3-ethyliminoprop-1-enyl]-2-N-methylaziridine-2,3-diamine

C8H16N4 — CID 126538603

IUPAC2-N-[(Z)-3-ethyliminoprop-1-enyl]-2-N-methylaziridine-2,3-diamine
SMILESCC/N=C/C=C\N(C)C1NC1N
InChIInChI=1S/C8H16N4/c1-3-10-5-4-6-12(2)8-7(9)11-8/h4-8,11H,3,9H2,1-2H3/b6-4-,10-5+
InChIKeyPAAIJTCTYXSALP-KNVSICBPSA-N
MW168.24 g/mol
LogP-0.26
Rot. Bonds4

About 2-N-[(Z)-3-ethyliminoprop-1-enyl]-2-N-methylaziridine-2,3-diamine

2-N-[(Z)-3-ethyliminoprop-1-enyl]-2-N-methylaziridine-2,3-diamine (PubChem CID 126538603) has the molecular formula C8H16N4 and a molecular weight of 168.24 g/mol. Its IUPAC name is 2-N-[(Z)-3-ethyliminoprop-1-enyl]-2-N-methylaziridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(Z)-3-ethyliminoprop-1-enyl]-2-N-methylaziridine-2,3-diamine
PubChem CID126538603
Molecular FormulaC8H16N4
Molecular Weight168.24 g/mol
Exact Mass168.14
IUPAC Name2-N-[(Z)-3-ethyliminoprop-1-enyl]-2-N-methylaziridine-2,3-diamine
SMILESCC/N=C/C=C\N(C)C1NC1N
InChIInChI=1S/C8H16N4/c1-3-10-5-4-6-12(2)8-7(9)11-8/h4-8,11H,3,9H2,1-2H3/b6-4-,10-5+
InChIKeyPAAIJTCTYXSALP-KNVSICBPSA-N
XLogP-0.26
TPSA63.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 5-0.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-N-[(Z)-3-ethyliminoprop-1-enyl]-2-N-methylaziridine-2,3-diamine?
The IUPAC name of 2-N-[(Z)-3-ethyliminoprop-1-enyl]-2-N-methylaziridine-2,3-diamine (CID 126538603) is 2-N-[(Z)-3-ethyliminoprop-1-enyl]-2-N-methylaziridine-2,3-diamine.
What is the SMILES notation for 2-N-[(Z)-3-ethyliminoprop-1-enyl]-2-N-methylaziridine-2,3-diamine?
The canonical SMILES for 2-N-[(Z)-3-ethyliminoprop-1-enyl]-2-N-methylaziridine-2,3-diamine is CC/N=C/C=C\N(C)C1NC1N.
What is the InChIKey of 2-N-[(Z)-3-ethyliminoprop-1-enyl]-2-N-methylaziridine-2,3-diamine?
The InChIKey is PAAIJTCTYXSALP-KNVSICBPSA-N. The full InChI is InChI=1S/C8H16N4/c1-3-10-5-4-6-12(2)8-7(9)11-8/h4-8,11H,3,9H2,1-2H3/b6-4-,10-5+.
What are the key properties of 2-N-[(Z)-3-ethyliminoprop-1-enyl]-2-N-methylaziridine-2,3-diamine?
2-N-[(Z)-3-ethyliminoprop-1-enyl]-2-N-methylaziridine-2,3-diamine has a molecular weight of 168.24 g/mol, XLogP of -0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(Z)-3-ethyliminoprop-1-enyl]-2-N-methylaziridine-2,3-diamine is sourced from PubChem (CID 126538603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).