N-[2-(diaminomethylideneamino)ethyl]acetamide

C5H12N4O — CID 12715885

IUPACN-[2-(diaminomethylideneamino)ethyl]acetamide
SMILESCC(=O)NCCN=C(N)N
InChIInChI=1S/C5H12N4O/c1-4(10)8-2-3-9-5(6)7/h2-3H2,1H3,(H,8,10)(H4,6,7,9)
InChIKeyIJWTXMMAUQPBAZ-UHFFFAOYSA-N
MW144.18 g/mol
LogP-1.60
Rot. Bonds3

About N-[2-(diaminomethylideneamino)ethyl]acetamide

N-[2-(diaminomethylideneamino)ethyl]acetamide (PubChem CID 12715885) has the molecular formula C5H12N4O and a molecular weight of 144.18 g/mol. Its IUPAC name is N-[2-(diaminomethylideneamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(diaminomethylideneamino)ethyl]acetamide
PubChem CID12715885
Molecular FormulaC5H12N4O
Molecular Weight144.18 g/mol
Exact Mass144.10
IUPAC NameN-[2-(diaminomethylideneamino)ethyl]acetamide
SMILESCC(=O)NCCN=C(N)N
InChIInChI=1S/C5H12N4O/c1-4(10)8-2-3-9-5(6)7/h2-3H2,1H3,(H,8,10)(H4,6,7,9)
InChIKeyIJWTXMMAUQPBAZ-UHFFFAOYSA-N
XLogP-1.60
TPSA93.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 N-[2-(diaminomethylideneamino)ethyl]acetamide?
The IUPAC name of N-[2-(diaminomethylideneamino)ethyl]acetamide (CID 12715885) is N-[2-(diaminomethylideneamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(diaminomethylideneamino)ethyl]acetamide?
The canonical SMILES for N-[2-(diaminomethylideneamino)ethyl]acetamide is CC(=O)NCCN=C(N)N.
What is the InChIKey of N-[2-(diaminomethylideneamino)ethyl]acetamide?
The InChIKey is IJWTXMMAUQPBAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N4O/c1-4(10)8-2-3-9-5(6)7/h2-3H2,1H3,(H,8,10)(H4,6,7,9).
What are the key properties of N-[2-(diaminomethylideneamino)ethyl]acetamide?
N-[2-(diaminomethylideneamino)ethyl]acetamide has a molecular weight of 144.18 g/mol, XLogP of -1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diaminomethylideneamino)ethyl]acetamide is sourced from PubChem (CID 12715885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).