2-(aminomethyl)-1-(diaminomethylidene)guanidine

C3H10N6 — CID 123981435

IUPAC2-(aminomethyl)-1-(diaminomethylidene)guanidine
SMILESNCN=C(N)N=C(N)N
InChIInChI=1S/C3H10N6/c4-1-8-3(7)9-2(5)6/h1,4H2,(H6,5,6,7,8,9)
InChIKeyJOIBCSLSXSWLJX-UHFFFAOYSA-N
MW130.16 g/mol
LogP-2.51
Rot. Bonds1

About 2-(aminomethyl)-1-(diaminomethylidene)guanidine

2-(aminomethyl)-1-(diaminomethylidene)guanidine (PubChem CID 123981435) has the molecular formula C3H10N6 and a molecular weight of 130.16 g/mol. Its IUPAC name is 2-(aminomethyl)-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-(aminomethyl)-1-(diaminomethylidene)guanidine
PubChem CID123981435
Molecular FormulaC3H10N6
Molecular Weight130.16 g/mol
Exact Mass130.10
IUPAC Name2-(aminomethyl)-1-(diaminomethylidene)guanidine
SMILESNCN=C(N)N=C(N)N
InChIInChI=1S/C3H10N6/c4-1-8-3(7)9-2(5)6/h1,4H2,(H6,5,6,7,8,9)
InChIKeyJOIBCSLSXSWLJX-UHFFFAOYSA-N
XLogP-2.51
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.16
LogP ≤ 5-2.51
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'}

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Related Compounds

2-(aminomethyl)guanidine
CID 54483546
2-[7-[[amino-(diaminomethylideneamino)methylidene]amino]heptyl]-1-(diaminomethylidene)guanidine
CID 22639457
2-[5-[[amino-(diaminomethylideneamino)methylidene]amino]pentyl]-1-(diaminomethylidene)guanidine
CID 22639468
2-[6-[[amino-(diaminomethylideneamino)methylidene]amino]hexyl]-1-(diaminomethylidene)guanidine
CID 516375
2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;boric acid
CID 87314580
2-[2-[2-[2-[[amino-(diaminomethylideneamino)methylidene]amino]ethoxy]ethoxy]ethyl]-1-(diaminomethylidene)guanidine
CID 58517388
2-(3-aminopropyl)-1-(diaminomethylidene)guanidine;phosphoric acid
CID 174852963
2-[1-[[amino-(diaminomethylideneamino)methylidene]amino]propan-2-yl]-1-(diaminomethylidene)guanidine
CID 22639466
1-(diaminomethylidene)-2-heptylguanidine;hydrochloride
CID 71332603
1-(diaminomethylidene)-2-(2-hydroxy-2,3-dimethylbutyl)guanidine
CID 130601326
1-(diaminomethylidene)-2-[(4-ethylcyclohexyl)methyl]guanidine
CID 83032402
1-(diaminomethylidene)-2-[(2-methylcyclopentyl)methyl]guanidine
CID 107419018

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-(aminomethyl)-1-(diaminomethylidene)guanidine (CID 123981435) is 2-(aminomethyl)-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-(aminomethyl)-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-(aminomethyl)-1-(diaminomethylidene)guanidine is NCN=C(N)N=C(N)N.
What is the InChIKey of 2-(aminomethyl)-1-(diaminomethylidene)guanidine?
The InChIKey is JOIBCSLSXSWLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N6/c4-1-8-3(7)9-2(5)6/h1,4H2,(H6,5,6,7,8,9).
What are the key properties of 2-(aminomethyl)-1-(diaminomethylidene)guanidine?
2-(aminomethyl)-1-(diaminomethylidene)guanidine has a molecular weight of 130.16 g/mol, XLogP of -2.51, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 123981435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).