1-[(3E)-3-[(ethylideneamino)methylidene]pentan-2-ylidene]-2-methylguanidine

C10H18N4 — CID 123350735

IUPAC1-[(3E)-3-[(ethylideneamino)methylidene]pentan-2-ylidene]-2-methylguanidine
SMILESC/C=N/C=C(\CC)C(C)=N/C(N)=N/C
InChIInChI=1S/C10H18N4/c1-5-9(7-13-6-2)8(3)14-10(11)12-4/h6-7H,5H2,1-4H3,(H2,11,12)/b9-7+,13-6+,14-8?
InChIKeyWSMRORTZHBQJIX-FDOVCNCRSA-N
MW194.28 g/mol
LogP1.78
Rot. Bonds3

About 1-[(3E)-3-[(ethylideneamino)methylidene]pentan-2-ylidene]-2-methylguanidine

1-[(3E)-3-[(ethylideneamino)methylidene]pentan-2-ylidene]-2-methylguanidine (PubChem CID 123350735) has the molecular formula C10H18N4 and a molecular weight of 194.28 g/mol. Its IUPAC name is 1-[(3E)-3-[(ethylideneamino)methylidene]pentan-2-ylidene]-2-methylguanidine.

Molecular Properties

Compound Name1-[(3E)-3-[(ethylideneamino)methylidene]pentan-2-ylidene]-2-methylguanidine
PubChem CID123350735
Molecular FormulaC10H18N4
Molecular Weight194.28 g/mol
Exact Mass194.15
IUPAC Name1-[(3E)-3-[(ethylideneamino)methylidene]pentan-2-ylidene]-2-methylguanidine
SMILESC/C=N/C=C(\CC)C(C)=N/C(N)=N/C
InChIInChI=1S/C10H18N4/c1-5-9(7-13-6-2)8(3)14-10(11)12-4/h6-7H,5H2,1-4H3,(H2,11,12)/b9-7+,13-6+,14-8?
InChIKeyWSMRORTZHBQJIX-FDOVCNCRSA-N
XLogP1.78
TPSA63.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 51.78
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of 1-[(3E)-3-[(ethylideneamino)methylidene]pentan-2-ylidene]-2-methylguanidine?
The IUPAC name of 1-[(3E)-3-[(ethylideneamino)methylidene]pentan-2-ylidene]-2-methylguanidine (CID 123350735) is 1-[(3E)-3-[(ethylideneamino)methylidene]pentan-2-ylidene]-2-methylguanidine.
What is the SMILES notation for 1-[(3E)-3-[(ethylideneamino)methylidene]pentan-2-ylidene]-2-methylguanidine?
The canonical SMILES for 1-[(3E)-3-[(ethylideneamino)methylidene]pentan-2-ylidene]-2-methylguanidine is C/C=N/C=C(\CC)C(C)=N/C(N)=N/C.
What is the InChIKey of 1-[(3E)-3-[(ethylideneamino)methylidene]pentan-2-ylidene]-2-methylguanidine?
The InChIKey is WSMRORTZHBQJIX-FDOVCNCRSA-N. The full InChI is InChI=1S/C10H18N4/c1-5-9(7-13-6-2)8(3)14-10(11)12-4/h6-7H,5H2,1-4H3,(H2,11,12)/b9-7+,13-6+,14-8?.
What are the key properties of 1-[(3E)-3-[(ethylideneamino)methylidene]pentan-2-ylidene]-2-methylguanidine?
1-[(3E)-3-[(ethylideneamino)methylidene]pentan-2-ylidene]-2-methylguanidine has a molecular weight of 194.28 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-3-[(ethylideneamino)methylidene]pentan-2-ylidene]-2-methylguanidine is sourced from PubChem (CID 123350735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).