N-(aminomethylidene)-N'-cyclobutylethanimidamide

C7H13N3 — CID 144869897

IUPACN-(aminomethylidene)-N'-cyclobutylethanimidamide
SMILESCC(/N=C/N)=N\C1CCC1
InChIInChI=1S/C7H13N3/c1-6(9-5-8)10-7-3-2-4-7/h5,7H,2-4H2,1H3,(H2,8,9,10)
InChIKeyXAZWPUBZASGIHJ-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.94
Rot. Bonds1

About N-(aminomethylidene)-N'-cyclobutylethanimidamide

N-(aminomethylidene)-N'-cyclobutylethanimidamide (PubChem CID 144869897) has the molecular formula C7H13N3 and a molecular weight of 139.20 g/mol. Its IUPAC name is N-(aminomethylidene)-N'-cyclobutylethanimidamide.

Molecular Properties

Compound NameN-(aminomethylidene)-N'-cyclobutylethanimidamide
PubChem CID144869897
Molecular FormulaC7H13N3
Molecular Weight139.20 g/mol
Exact Mass139.11
IUPAC NameN-(aminomethylidene)-N'-cyclobutylethanimidamide
SMILESCC(/N=C/N)=N\C1CCC1
InChIInChI=1S/C7H13N3/c1-6(9-5-8)10-7-3-2-4-7/h5,7H,2-4H2,1H3,(H2,8,9,10)
InChIKeyXAZWPUBZASGIHJ-UHFFFAOYSA-N
XLogP0.94
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 N-(aminomethylidene)-N'-cyclobutylethanimidamide?
The IUPAC name of N-(aminomethylidene)-N'-cyclobutylethanimidamide (CID 144869897) is N-(aminomethylidene)-N'-cyclobutylethanimidamide.
What is the SMILES notation for N-(aminomethylidene)-N'-cyclobutylethanimidamide?
The canonical SMILES for N-(aminomethylidene)-N'-cyclobutylethanimidamide is CC(/N=C/N)=N\C1CCC1.
What is the InChIKey of N-(aminomethylidene)-N'-cyclobutylethanimidamide?
The InChIKey is XAZWPUBZASGIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3/c1-6(9-5-8)10-7-3-2-4-7/h5,7H,2-4H2,1H3,(H2,8,9,10).
What are the key properties of N-(aminomethylidene)-N'-cyclobutylethanimidamide?
N-(aminomethylidene)-N'-cyclobutylethanimidamide has a molecular weight of 139.20 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(aminomethylidene)-N'-cyclobutylethanimidamide is sourced from PubChem (CID 144869897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).