2-[(2-methyloxolan-3-ylidene)amino]guanidine

C6H12N4O — CID 115327827

IUPAC2-[(2-methyloxolan-3-ylidene)amino]guanidine
SMILESCC1OCCC1=NN=C(N)N
InChIInChI=1S/C6H12N4O/c1-4-5(2-3-11-4)9-10-6(7)8/h4H,2-3H2,1H3,(H4,7,8,10)
InChIKeyZDICJCAITXXHII-UHFFFAOYSA-N
MW156.19 g/mol
LogP-0.58
Rot. Bonds1

About 2-[(2-methyloxolan-3-ylidene)amino]guanidine

2-[(2-methyloxolan-3-ylidene)amino]guanidine (PubChem CID 115327827) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-[(2-methyloxolan-3-ylidene)amino]guanidine.

Molecular Properties

Compound Name2-[(2-methyloxolan-3-ylidene)amino]guanidine
PubChem CID115327827
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-[(2-methyloxolan-3-ylidene)amino]guanidine
SMILESCC1OCCC1=NN=C(N)N
InChIInChI=1S/C6H12N4O/c1-4-5(2-3-11-4)9-10-6(7)8/h4H,2-3H2,1H3,(H4,7,8,10)
InChIKeyZDICJCAITXXHII-UHFFFAOYSA-N
XLogP-0.58
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.19
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-Methyloxolane-2,3-diimine
CID 70420442
(2R)-2-methyloxolan-3-imine
CID 173575581
2-[(Z)-oxolan-3-ylideneamino]guanidine
CID 63938648
2-(Oxolan-3-ylideneamino)guanidine
CID 77013747
2-(3-Methoxybutan-2-ylideneamino)guanidine
CID 103773080
2-[(E)-(2,5-dimethyloxolan-3-ylidene)amino]guanidine
CID 133618644
(E)-(2-methyloxolan-3-ylidene)hydrazine
CID 133639206
2-[(E)-1-(oxolan-2-yl)ethylideneamino]guanidine
CID 133663455
2-[(E)-(2-ethoxycyclopentylidene)amino]guanidine
CID 133674718
2-[(E)-(2,2-dimethyloxolan-3-ylidene)amino]guanidine
CID 133680875

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyloxolan-3-ylidene)amino]guanidine?
The IUPAC name of 2-[(2-methyloxolan-3-ylidene)amino]guanidine (CID 115327827) is 2-[(2-methyloxolan-3-ylidene)amino]guanidine.
What is the SMILES notation for 2-[(2-methyloxolan-3-ylidene)amino]guanidine?
The canonical SMILES for 2-[(2-methyloxolan-3-ylidene)amino]guanidine is CC1OCCC1=NN=C(N)N.
What is the InChIKey of 2-[(2-methyloxolan-3-ylidene)amino]guanidine?
The InChIKey is ZDICJCAITXXHII-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O/c1-4-5(2-3-11-4)9-10-6(7)8/h4H,2-3H2,1H3,(H4,7,8,10).
What are the key properties of 2-[(2-methyloxolan-3-ylidene)amino]guanidine?
2-[(2-methyloxolan-3-ylidene)amino]guanidine has a molecular weight of 156.19 g/mol, XLogP of -0.58, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyloxolan-3-ylidene)amino]guanidine is sourced from PubChem (CID 115327827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).