1-(diaminomethylidene)-3-propylideneguanidine

C5H11N5 — CID 174393528

IUPAC1-(diaminomethylidene)-3-propylideneguanidine
SMILES[H]/N=C(\N=CCC)N=C(N)N
InChIInChI=1S/C5H11N5/c1-2-3-9-5(8)10-4(6)7/h3H,2H2,1H3,(H5,6,7,8,10)
InChIKeyXOIIEVRIMVIHOK-UHFFFAOYSA-N
MW141.18 g/mol
LogP-0.32
Rot. Bonds1

About 1-(diaminomethylidene)-3-propylideneguanidine

1-(diaminomethylidene)-3-propylideneguanidine (PubChem CID 174393528) has the molecular formula C5H11N5 and a molecular weight of 141.18 g/mol. Its IUPAC name is 1-(diaminomethylidene)-3-propylideneguanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-3-propylideneguanidine
PubChem CID174393528
Molecular FormulaC5H11N5
Molecular Weight141.18 g/mol
Exact Mass141.10
IUPAC Name1-(diaminomethylidene)-3-propylideneguanidine
SMILES[H]/N=C(\N=CCC)N=C(N)N
InChIInChI=1S/C5H11N5/c1-2-3-9-5(8)10-4(6)7/h3H,2H2,1H3,(H5,6,7,8,10)
InChIKeyXOIIEVRIMVIHOK-UHFFFAOYSA-N
XLogP-0.32
TPSA100.61 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.18
LogP ≤ 5-0.32
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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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-3-propylideneguanidine?
The IUPAC name of 1-(diaminomethylidene)-3-propylideneguanidine (CID 174393528) is 1-(diaminomethylidene)-3-propylideneguanidine.
What is the SMILES notation for 1-(diaminomethylidene)-3-propylideneguanidine?
The canonical SMILES for 1-(diaminomethylidene)-3-propylideneguanidine is [H]/N=C(\N=CCC)N=C(N)N.
What is the InChIKey of 1-(diaminomethylidene)-3-propylideneguanidine?
The InChIKey is XOIIEVRIMVIHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N5/c1-2-3-9-5(8)10-4(6)7/h3H,2H2,1H3,(H5,6,7,8,10).
What are the key properties of 1-(diaminomethylidene)-3-propylideneguanidine?
1-(diaminomethylidene)-3-propylideneguanidine has a molecular weight of 141.18 g/mol, XLogP of -0.32, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-3-propylideneguanidine is sourced from PubChem (CID 174393528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).