2-[(3-methoxycyclobutylidene)amino]guanidine

C6H12N4O — CID 106824494

IUPAC2-[(3-methoxycyclobutylidene)amino]guanidine
SMILESCOC1CC(=NN=C(N)N)C1
InChIInChI=1S/C6H12N4O/c1-11-5-2-4(3-5)9-10-6(7)8/h5H,2-3H2,1H3,(H4,7,8,10)/b9-4-
InChIKeyKQSRWULUZYANPT-WTKPLQERSA-N
MW156.19 g/mol
LogP-0.58
Rot. Bonds2

About 2-[(3-methoxycyclobutylidene)amino]guanidine

2-[(3-methoxycyclobutylidene)amino]guanidine (PubChem CID 106824494) has the molecular formula C6H12N4O and a molecular weight of 156.19 g/mol. Its IUPAC name is 2-[(3-methoxycyclobutylidene)amino]guanidine.

Molecular Properties

Compound Name2-[(3-methoxycyclobutylidene)amino]guanidine
PubChem CID106824494
Molecular FormulaC6H12N4O
Molecular Weight156.19 g/mol
Exact Mass156.10
IUPAC Name2-[(3-methoxycyclobutylidene)amino]guanidine
SMILESCOC1CC(=NN=C(N)N)C1
InChIInChI=1S/C6H12N4O/c1-11-5-2-4(3-5)9-10-6(7)8/h5H,2-3H2,1H3,(H4,7,8,10)/b9-4-
InChIKeyKQSRWULUZYANPT-WTKPLQERSA-N
XLogP-0.58
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

2-(1-Methoxybutan-2-ylideneamino)guanidine
CID 77037770
2-(4-Methoxybutan-2-ylideneamino)guanidine
CID 77060038
2-(3-Methoxybutan-2-ylideneamino)guanidine
CID 103773080
2-[(3-Ethoxycyclobutylidene)amino]guanidine
CID 106824493
2-[(3-Propan-2-yloxycyclobutylidene)amino]guanidine
CID 130877494
(3-Methoxycyclobutylidene)hydrazine
CID 131054110

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycyclobutylidene)amino]guanidine?
The IUPAC name of 2-[(3-methoxycyclobutylidene)amino]guanidine (CID 106824494) is 2-[(3-methoxycyclobutylidene)amino]guanidine.
What is the SMILES notation for 2-[(3-methoxycyclobutylidene)amino]guanidine?
The canonical SMILES for 2-[(3-methoxycyclobutylidene)amino]guanidine is COC1CC(=NN=C(N)N)C1.
What is the InChIKey of 2-[(3-methoxycyclobutylidene)amino]guanidine?
The InChIKey is KQSRWULUZYANPT-WTKPLQERSA-N. The full InChI is InChI=1S/C6H12N4O/c1-11-5-2-4(3-5)9-10-6(7)8/h5H,2-3H2,1H3,(H4,7,8,10)/b9-4-.
What are the key properties of 2-[(3-methoxycyclobutylidene)amino]guanidine?
2-[(3-methoxycyclobutylidene)amino]guanidine has a molecular weight of 156.19 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycyclobutylidene)amino]guanidine is sourced from PubChem (CID 106824494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).