(2E)-2-(iodohydrazinylidene)-N-[2-(methylamino)ethyl]propanamide

C6H13IN4O — CID 172930045

IUPAC(2E)-2-(iodohydrazinylidene)-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)/C(C)=N/NI
InChIInChI=1S/C6H13IN4O/c1-5(10-11-7)6(12)9-4-3-8-2/h8,11H,3-4H2,1-2H3,(H,9,12)/b10-5+
InChIKeyPUSBWVYHDNXJCW-BJMVGYQFSA-N
MW284.10 g/mol
LogP-0.36
Rot. Bonds5

About (2E)-2-(iodohydrazinylidene)-N-[2-(methylamino)ethyl]propanamide

(2E)-2-(iodohydrazinylidene)-N-[2-(methylamino)ethyl]propanamide (PubChem CID 172930045) has the molecular formula C6H13IN4O and a molecular weight of 284.10 g/mol. Its IUPAC name is (2E)-2-(iodohydrazinylidene)-N-[2-(methylamino)ethyl]propanamide.

Molecular Properties

Compound Name(2E)-2-(iodohydrazinylidene)-N-[2-(methylamino)ethyl]propanamide
PubChem CID172930045
Molecular FormulaC6H13IN4O
Molecular Weight284.10 g/mol
Exact Mass284.01
IUPAC Name(2E)-2-(iodohydrazinylidene)-N-[2-(methylamino)ethyl]propanamide
SMILESCNCCNC(=O)/C(C)=N/NI
InChIInChI=1S/C6H13IN4O/c1-5(10-11-7)6(12)9-4-3-8-2/h8,11H,3-4H2,1-2H3,(H,9,12)/b10-5+
InChIKeyPUSBWVYHDNXJCW-BJMVGYQFSA-N
XLogP-0.36
TPSA65.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.10
LogP ≤ 5-0.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-(iodohydrazinylidene)-N-[2-(methylamino)ethyl]propanamide?
The IUPAC name of (2E)-2-(iodohydrazinylidene)-N-[2-(methylamino)ethyl]propanamide (CID 172930045) is (2E)-2-(iodohydrazinylidene)-N-[2-(methylamino)ethyl]propanamide.
What is the SMILES notation for (2E)-2-(iodohydrazinylidene)-N-[2-(methylamino)ethyl]propanamide?
The canonical SMILES for (2E)-2-(iodohydrazinylidene)-N-[2-(methylamino)ethyl]propanamide is CNCCNC(=O)/C(C)=N/NI.
What is the InChIKey of (2E)-2-(iodohydrazinylidene)-N-[2-(methylamino)ethyl]propanamide?
The InChIKey is PUSBWVYHDNXJCW-BJMVGYQFSA-N. The full InChI is InChI=1S/C6H13IN4O/c1-5(10-11-7)6(12)9-4-3-8-2/h8,11H,3-4H2,1-2H3,(H,9,12)/b10-5+.
What are the key properties of (2E)-2-(iodohydrazinylidene)-N-[2-(methylamino)ethyl]propanamide?
(2E)-2-(iodohydrazinylidene)-N-[2-(methylamino)ethyl]propanamide has a molecular weight of 284.10 g/mol, XLogP of -0.36, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-(iodohydrazinylidene)-N-[2-(methylamino)ethyl]propanamide is sourced from PubChem (CID 172930045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).