guanidine

C4H20N12 — CID 172829088

IUPACguanidine
SMILES[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N
InChIInChI=1S/4CH5N3/c4*2-1(3)4/h4*(H5,2,3,4)
InChIKeyVGSVSNPGPVEMRT-UHFFFAOYSA-N
MW236.29 g/mol
LogP-4.65
Rot. Bonds

About guanidine

guanidine (PubChem CID 172829088) has the molecular formula C4H20N12 and a molecular weight of 236.29 g/mol. Its IUPAC name is guanidine.

Molecular Properties

Compound Nameguanidine
PubChem CID172829088
Molecular FormulaC4H20N12
Molecular Weight236.29 g/mol
Exact Mass236.19
IUPAC Nameguanidine
SMILES[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N
InChIInChI=1S/4CH5N3/c4*2-1(3)4/h4*(H5,2,3,4)
InChIKeyVGSVSNPGPVEMRT-UHFFFAOYSA-N
XLogP-4.65
TPSA303.56 Ų
H-Bond Donors12
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500236.29
LogP ≤ 5-4.65
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 104

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 guanidine?
The IUPAC name of guanidine (CID 172829088) is guanidine.
What is the SMILES notation for guanidine?
The canonical SMILES for guanidine is [H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.[H]N=C(N)N.
What is the InChIKey of guanidine?
The InChIKey is VGSVSNPGPVEMRT-UHFFFAOYSA-N. The full InChI is InChI=1S/4CH5N3/c4*2-1(3)4/h4*(H5,2,3,4).
What are the key properties of guanidine?
guanidine has a molecular weight of 236.29 g/mol, XLogP of -4.65, 0 rotatable bonds, 12 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for guanidine is sourced from PubChem (CID 172829088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).