N'-[2-(diaminomethylideneamino)ethyl]ethanimidamide

C5H13N5 — CID 123161774

IUPACN'-[2-(diaminomethylideneamino)ethyl]ethanimidamide
SMILESC/C(N)=N\CCN=C(N)N
InChIInChI=1S/C5H13N5/c1-4(6)9-2-3-10-5(7)8/h2-3H2,1H3,(H2,6,9)(H4,7,8,10)
InChIKeyQOVPRIPTCARVPH-UHFFFAOYSA-N
MW143.19 g/mol
LogP-1.36
Rot. Bonds3

About N'-[2-(diaminomethylideneamino)ethyl]ethanimidamide

N'-[2-(diaminomethylideneamino)ethyl]ethanimidamide (PubChem CID 123161774) has the molecular formula C5H13N5 and a molecular weight of 143.19 g/mol. Its IUPAC name is N'-[2-(diaminomethylideneamino)ethyl]ethanimidamide.

Molecular Properties

Compound NameN'-[2-(diaminomethylideneamino)ethyl]ethanimidamide
PubChem CID123161774
Molecular FormulaC5H13N5
Molecular Weight143.19 g/mol
Exact Mass143.12
IUPAC NameN'-[2-(diaminomethylideneamino)ethyl]ethanimidamide
SMILESC/C(N)=N\CCN=C(N)N
InChIInChI=1S/C5H13N5/c1-4(6)9-2-3-10-5(7)8/h2-3H2,1H3,(H2,6,9)(H4,7,8,10)
InChIKeyQOVPRIPTCARVPH-UHFFFAOYSA-N
XLogP-1.36
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 5-1.36
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]ethanimidamide?
The IUPAC name of N'-[2-(diaminomethylideneamino)ethyl]ethanimidamide (CID 123161774) is N'-[2-(diaminomethylideneamino)ethyl]ethanimidamide.
What is the SMILES notation for N'-[2-(diaminomethylideneamino)ethyl]ethanimidamide?
The canonical SMILES for N'-[2-(diaminomethylideneamino)ethyl]ethanimidamide is C/C(N)=N\CCN=C(N)N.
What is the InChIKey of N'-[2-(diaminomethylideneamino)ethyl]ethanimidamide?
The InChIKey is QOVPRIPTCARVPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H13N5/c1-4(6)9-2-3-10-5(7)8/h2-3H2,1H3,(H2,6,9)(H4,7,8,10).
What are the key properties of N'-[2-(diaminomethylideneamino)ethyl]ethanimidamide?
N'-[2-(diaminomethylideneamino)ethyl]ethanimidamide has a molecular weight of 143.19 g/mol, XLogP of -1.36, 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]ethanimidamide is sourced from PubChem (CID 123161774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).