2-[1-(diaminomethylideneamino)ethyl]guanidine

C4H12N6 — CID 19742602

IUPAC2-[1-(diaminomethylideneamino)ethyl]guanidine
SMILESCC(N=C(N)N)N=C(N)N
InChIInChI=1S/C4H12N6/c1-2(9-3(5)6)10-4(7)8/h2H,1H3,(H4,5,6,9)(H4,7,8,10)
InChIKeyDELDZZPRZDZNTB-UHFFFAOYSA-N
MW144.18 g/mol
LogP-2.12
Rot. Bonds2

About 2-[1-(diaminomethylideneamino)ethyl]guanidine

2-[1-(diaminomethylideneamino)ethyl]guanidine (PubChem CID 19742602) has the molecular formula C4H12N6 and a molecular weight of 144.18 g/mol. Its IUPAC name is 2-[1-(diaminomethylideneamino)ethyl]guanidine.

Molecular Properties

Compound Name2-[1-(diaminomethylideneamino)ethyl]guanidine
PubChem CID19742602
Molecular FormulaC4H12N6
Molecular Weight144.18 g/mol
Exact Mass144.11
IUPAC Name2-[1-(diaminomethylideneamino)ethyl]guanidine
SMILESCC(N=C(N)N)N=C(N)N
InChIInChI=1S/C4H12N6/c1-2(9-3(5)6)10-4(7)8/h2H,1H3,(H4,5,6,9)(H4,7,8,10)
InChIKeyDELDZZPRZDZNTB-UHFFFAOYSA-N
XLogP-2.12
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.18
LogP ≤ 5-2.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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 2-[1-(diaminomethylideneamino)ethyl]guanidine?
The IUPAC name of 2-[1-(diaminomethylideneamino)ethyl]guanidine (CID 19742602) is 2-[1-(diaminomethylideneamino)ethyl]guanidine.
What is the SMILES notation for 2-[1-(diaminomethylideneamino)ethyl]guanidine?
The canonical SMILES for 2-[1-(diaminomethylideneamino)ethyl]guanidine is CC(N=C(N)N)N=C(N)N.
What is the InChIKey of 2-[1-(diaminomethylideneamino)ethyl]guanidine?
The InChIKey is DELDZZPRZDZNTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H12N6/c1-2(9-3(5)6)10-4(7)8/h2H,1H3,(H4,5,6,9)(H4,7,8,10).
What are the key properties of 2-[1-(diaminomethylideneamino)ethyl]guanidine?
2-[1-(diaminomethylideneamino)ethyl]guanidine has a molecular weight of 144.18 g/mol, XLogP of -2.12, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(diaminomethylideneamino)ethyl]guanidine is sourced from PubChem (CID 19742602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).