2-[(Z)-3-methylbutan-2-ylideneamino]guanidine

C6H14N4 — CID 5474568

IUPAC2-[(Z)-3-methylbutan-2-ylideneamino]guanidine
SMILESC/C(=N/N=C(N)N)C(C)C
InChIInChI=1S/C6H14N4/c1-4(2)5(3)9-10-6(7)8/h4H,1-3H3,(H4,7,8,10)/b9-5-
InChIKeyZVZYLNZLEXSEBW-UITAMQMPSA-N
MW142.21 g/mol
LogP0.29
Rot. Bonds2

About 2-[(Z)-3-methylbutan-2-ylideneamino]guanidine

2-[(Z)-3-methylbutan-2-ylideneamino]guanidine (PubChem CID 5474568) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 2-[(Z)-3-methylbutan-2-ylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-3-methylbutan-2-ylideneamino]guanidine
PubChem CID5474568
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name2-[(Z)-3-methylbutan-2-ylideneamino]guanidine
SMILESC/C(=N/N=C(N)N)C(C)C
InChIInChI=1S/C6H14N4/c1-4(2)5(3)9-10-6(7)8/h4H,1-3H3,(H4,7,8,10)/b9-5-
InChIKeyZVZYLNZLEXSEBW-UITAMQMPSA-N
XLogP0.29
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.21
LogP ≤ 50.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-methylbutan-2-ylideneamino]guanidine?
The IUPAC name of 2-[(Z)-3-methylbutan-2-ylideneamino]guanidine (CID 5474568) is 2-[(Z)-3-methylbutan-2-ylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-3-methylbutan-2-ylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-3-methylbutan-2-ylideneamino]guanidine is C/C(=N/N=C(N)N)C(C)C.
What is the InChIKey of 2-[(Z)-3-methylbutan-2-ylideneamino]guanidine?
The InChIKey is ZVZYLNZLEXSEBW-UITAMQMPSA-N. The full InChI is InChI=1S/C6H14N4/c1-4(2)5(3)9-10-6(7)8/h4H,1-3H3,(H4,7,8,10)/b9-5-.
What are the key properties of 2-[(Z)-3-methylbutan-2-ylideneamino]guanidine?
2-[(Z)-3-methylbutan-2-ylideneamino]guanidine has a molecular weight of 142.21 g/mol, XLogP of 0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-methylbutan-2-ylideneamino]guanidine is sourced from PubChem (CID 5474568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).