1-(diaminomethylidene)-2-prop-2-enylguanidine

C5H11N5 — CID 4650633

IUPAC1-(diaminomethylidene)-2-prop-2-enylguanidine
SMILESC=CC/N=C(\N)N=C(N)N
InChIInChI=1S/C5H11N5/c1-2-3-9-5(8)10-4(6)7/h2H,1,3H2,(H6,6,7,8,9,10)
InChIKeyUBJPWXQSHUPNPG-UHFFFAOYSA-N
MW141.18 g/mol
LogP-1.24
Rot. Bonds2

About 1-(diaminomethylidene)-2-prop-2-enylguanidine

1-(diaminomethylidene)-2-prop-2-enylguanidine (PubChem CID 4650633) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-prop-2-enylguanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-prop-2-enylguanidine
PubChem CID4650633
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name1-(diaminomethylidene)-2-prop-2-enylguanidine
SMILESC=CC/N=C(\N)N=C(N)N
InChIInChI=1S/C5H11N5/c1-2-3-9-5(8)10-4(6)7/h2H,1,3H2,(H6,6,7,8,9,10)
InChIKeyUBJPWXQSHUPNPG-UHFFFAOYSA-N
XLogP-1.24
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-1.24
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-prop-2-enylguanidine?
The IUPAC name of 1-(diaminomethylidene)-2-prop-2-enylguanidine (CID 4650633) is 1-(diaminomethylidene)-2-prop-2-enylguanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-prop-2-enylguanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-prop-2-enylguanidine is C=CC/N=C(\N)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-2-prop-2-enylguanidine?
The InChIKey is UBJPWXQSHUPNPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-2-3-9-5(8)10-4(6)7/h2H,1,3H2,(H6,6,7,8,9,10).
What are the key properties of 1-(diaminomethylidene)-2-prop-2-enylguanidine?
1-(diaminomethylidene)-2-prop-2-enylguanidine has a molecular weight of 141.18 g/mol, XLogP of -1.24, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-prop-2-enylguanidine is sourced from PubChem (CID 4650633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).