1-(diaminomethylidene)-3-ethylideneguanidine

C4H9N5 — CID 57174340

IUPAC1-(diaminomethylidene)-3-ethylideneguanidine
SMILES[H]/N=C(\N=CC)N=C(N)N
InChIInChI=1S/C4H9N5/c1-2-8-4(7)9-3(5)6/h2H,1H3,(H5,5,6,7,9)
InChIKeyVGHKYSFHYVDKCV-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.71
Rot. Bonds

About 1-(diaminomethylidene)-3-ethylideneguanidine

1-(diaminomethylidene)-3-ethylideneguanidine (PubChem CID 57174340) has the molecular formula C4H9N5 and a molecular weight of 127.15 g/mol. Its IUPAC name is 1-(diaminomethylidene)-3-ethylideneguanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-3-ethylideneguanidine
PubChem CID57174340
Molecular FormulaC4H9N5
Molecular Weight127.15 g/mol
Exact Mass127.09
IUPAC Name1-(diaminomethylidene)-3-ethylideneguanidine
SMILES[H]/N=C(\N=CC)N=C(N)N
InChIInChI=1S/C4H9N5/c1-2-8-4(7)9-3(5)6/h2H,1H3,(H5,5,6,7,9)
InChIKeyVGHKYSFHYVDKCV-UHFFFAOYSA-N
XLogP-0.71
TPSA100.61 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(2-Fluoroethylidene)-2-methylguanidine
CID 173820622
Bis(ethylimino)ethylamine
CID 129802213
N-ethylidene-N'-methylmethanimidamide
CID 18734704
N-ethylideneethanimidamide
CID 20656499
1-Ethylideneguanidine
CID 56623125
2-(2-Iminoethyl)guanidine
CID 57236490
(1Z)-1-ethylidene-2-methylguanidine
CID 59960391
(1Z)-1-ethylidene-3-methylideneguanidine
CID 60098799
1-Ethylidene-2-methylguanidine
CID 73694423
(3E)-1-(diaminomethylidene)-3-ethylideneguanidine
CID 87452965
N-ethylidene-N'-methanimidoylethanimidamide
CID 88586883
N'-methyl-N-(2-methyliminoethylidene)methanimidamide
CID 88878623

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-3-ethylideneguanidine?
The IUPAC name of 1-(diaminomethylidene)-3-ethylideneguanidine (CID 57174340) is 1-(diaminomethylidene)-3-ethylideneguanidine.
What is the SMILES notation for 1-(diaminomethylidene)-3-ethylideneguanidine?
The canonical SMILES for 1-(diaminomethylidene)-3-ethylideneguanidine is [H]/N=C(\N=CC)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-3-ethylideneguanidine?
The InChIKey is VGHKYSFHYVDKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9N5/c1-2-8-4(7)9-3(5)6/h2H,1H3,(H5,5,6,7,9).
What are the key properties of 1-(diaminomethylidene)-3-ethylideneguanidine?
1-(diaminomethylidene)-3-ethylideneguanidine has a molecular weight of 127.15 g/mol, XLogP of -0.71, 0 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-3-ethylideneguanidine is sourced from PubChem (CID 57174340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).