1-[(E)-butan-2-ylideneamino]-2-methylguanidine

C6H14N4 — CID 55285164

IUPAC1-[(E)-butan-2-ylideneamino]-2-methylguanidine
SMILESCC/C(C)=N/N/C(N)=N/C
InChIInChI=1S/C6H14N4/c1-4-5(2)9-10-6(7)8-3/h4H2,1-3H3,(H3,7,8,10)/b9-5+
InChIKeyDDOAVTLZPZRLBV-WEVVVXLNSA-N
MW142.21 g/mol
LogP0.31
Rot. Bonds2

About 1-[(E)-butan-2-ylideneamino]-2-methylguanidine

1-[(E)-butan-2-ylideneamino]-2-methylguanidine (PubChem CID 55285164) has the molecular formula C6H14N4 and a molecular weight of 142.21 g/mol. Its IUPAC name is 1-[(E)-butan-2-ylideneamino]-2-methylguanidine.

Molecular Properties

Compound Name1-[(E)-butan-2-ylideneamino]-2-methylguanidine
PubChem CID55285164
Molecular FormulaC6H14N4
Molecular Weight142.21 g/mol
Exact Mass142.12
IUPAC Name1-[(E)-butan-2-ylideneamino]-2-methylguanidine
SMILESCC/C(C)=N/N/C(N)=N/C
InChIInChI=1S/C6H14N4/c1-4-5(2)9-10-6(7)8-3/h4H2,1-3H3,(H3,7,8,10)/b9-5+
InChIKeyDDOAVTLZPZRLBV-WEVVVXLNSA-N
XLogP0.31
TPSA62.77 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 ≤ 50.31
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 1-[(E)-butan-2-ylideneamino]-2-methylguanidine?
The IUPAC name of 1-[(E)-butan-2-ylideneamino]-2-methylguanidine (CID 55285164) is 1-[(E)-butan-2-ylideneamino]-2-methylguanidine.
What is the SMILES notation for 1-[(E)-butan-2-ylideneamino]-2-methylguanidine?
The canonical SMILES for 1-[(E)-butan-2-ylideneamino]-2-methylguanidine is CC/C(C)=N/N/C(N)=N/C.
What is the InChIKey of 1-[(E)-butan-2-ylideneamino]-2-methylguanidine?
The InChIKey is DDOAVTLZPZRLBV-WEVVVXLNSA-N. The full InChI is InChI=1S/C6H14N4/c1-4-5(2)9-10-6(7)8-3/h4H2,1-3H3,(H3,7,8,10)/b9-5+.
What are the key properties of 1-[(E)-butan-2-ylideneamino]-2-methylguanidine?
1-[(E)-butan-2-ylideneamino]-2-methylguanidine has a molecular weight of 142.21 g/mol, XLogP of 0.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-butan-2-ylideneamino]-2-methylguanidine is sourced from PubChem (CID 55285164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).