2-(aminomethyl)guanidine

C2H8N4 — CID 54483546

IUPAC2-(aminomethyl)guanidine
SMILESNCN=C(N)N
InChIInChI=1S/C2H8N4/c3-1-6-2(4)5/h1,3H2,(H4,4,5,6)
InChIKeyXQSGLPYILNSZCF-UHFFFAOYSA-N
MW88.11 g/mol
LogP-1.82
Rot. Bonds1

About 2-(aminomethyl)guanidine

2-(aminomethyl)guanidine (PubChem CID 54483546) has the molecular formula C2H8N4 and a molecular weight of 88.11 g/mol. Its IUPAC name is 2-(aminomethyl)guanidine.

Molecular Properties

Compound Name2-(aminomethyl)guanidine
PubChem CID54483546
Molecular FormulaC2H8N4
Molecular Weight88.11 g/mol
Exact Mass88.07
IUPAC Name2-(aminomethyl)guanidine
SMILESNCN=C(N)N
InChIInChI=1S/C2H8N4/c3-1-6-2(4)5/h1,3H2,(H4,4,5,6)
InChIKeyXQSGLPYILNSZCF-UHFFFAOYSA-N
XLogP-1.82
TPSA90.42 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50088.11
LogP ≤ 5-1.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

2-(aminomethyl)-1-(diaminomethylidene)guanidine
CID 123981435
2-[2-(diaminomethylideneamino)ethyl]guanidine
CID 25831
2-(4-aminobutyl)guanidine
CID 22560045
bis[8-(diaminomethylideneamino)octyl]azanium
CID 22618664
2-(2-sulfanylethyl)guanidine;hydrobromide
CID 53426976
[bis(methylsulfanyl)methylideneamino]methanamine
CID 135128904
2-[2-[2-(2-aminoethylamino)ethylamino]ethyl]guanidine
CID 11355939
2-(3-hydroxypropyl)guanidine;hydrochloride
CID 118321819
2-ethylguanidine;nitrous acid
CID 174966669
azane;2-(diaminomethylideneamino)acetic acid
CID 174297206
2-(diaminomethylideneamino)acetic acid;hydrate
CID 141191811
2-(hydroxymethyl)guanidine;phosphoric acid
CID 127256429

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)guanidine?
The IUPAC name of 2-(aminomethyl)guanidine (CID 54483546) is 2-(aminomethyl)guanidine.
What is the SMILES notation for 2-(aminomethyl)guanidine?
The canonical SMILES for 2-(aminomethyl)guanidine is NCN=C(N)N.
What is the InChIKey of 2-(aminomethyl)guanidine?
The InChIKey is XQSGLPYILNSZCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N4/c3-1-6-2(4)5/h1,3H2,(H4,4,5,6).
What are the key properties of 2-(aminomethyl)guanidine?
2-(aminomethyl)guanidine has a molecular weight of 88.11 g/mol, XLogP of -1.82, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)guanidine is sourced from PubChem (CID 54483546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).