1-(diaminomethylideneamino)-1-prop-2-enylguanidine

C5H12N6 — CID 91460470

IUPAC1-(diaminomethylideneamino)-1-prop-2-enylguanidine
SMILES[H]/N=C(\N)N(CC=C)N=C(N)N
InChIInChI=1S/C5H12N6/c1-2-3-11(5(8)9)10-4(6)7/h2H,1,3H2,(H3,8,9)(H4,6,7,10)
InChIKeyRGPLCXCXWYMPBM-UHFFFAOYSA-N
MW156.19 g/mol
LogP-1.44
Rot. Bonds3

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

1-(diaminomethylideneamino)-1-prop-2-enylguanidine (PubChem CID 91460470) has the molecular formula C5H12N6 and a molecular weight of 156.19 g/mol. Its IUPAC name is 1-(diaminomethylideneamino)-1-prop-2-enylguanidine.

Molecular Properties

Compound Name1-(diaminomethylideneamino)-1-prop-2-enylguanidine
PubChem CID91460470
Molecular FormulaC5H12N6
Molecular Weight156.19 g/mol
Exact Mass156.11
IUPAC Name1-(diaminomethylideneamino)-1-prop-2-enylguanidine
SMILES[H]/N=C(\N)N(CC=C)N=C(N)N
InChIInChI=1S/C5H12N6/c1-2-3-11(5(8)9)10-4(6)7/h2H,1,3H2,(H3,8,9)(H4,6,7,10)
InChIKeyRGPLCXCXWYMPBM-UHFFFAOYSA-N
XLogP-1.44
TPSA117.51 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-1.44
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylideneamino)-1-prop-2-enylguanidine?
The IUPAC name of 1-(diaminomethylideneamino)-1-prop-2-enylguanidine (CID 91460470) is 1-(diaminomethylideneamino)-1-prop-2-enylguanidine.
What is the SMILES notation for 1-(diaminomethylideneamino)-1-prop-2-enylguanidine?
The canonical SMILES for 1-(diaminomethylideneamino)-1-prop-2-enylguanidine is [H]/N=C(\N)N(CC=C)N=C(N)N.
What is the InChIKey of 1-(diaminomethylideneamino)-1-prop-2-enylguanidine?
The InChIKey is RGPLCXCXWYMPBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12N6/c1-2-3-11(5(8)9)10-4(6)7/h2H,1,3H2,(H3,8,9)(H4,6,7,10).
What are the key properties of 1-(diaminomethylideneamino)-1-prop-2-enylguanidine?
1-(diaminomethylideneamino)-1-prop-2-enylguanidine has a molecular weight of 156.19 g/mol, XLogP of -1.44, 3 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylideneamino)-1-prop-2-enylguanidine is sourced from PubChem (CID 91460470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).