N'-butan-2-yl-N-ethenylmethanimidamide

C7H14N2 — CID 139354464

IUPACN'-butan-2-yl-N-ethenylmethanimidamide
SMILESC=CN/C=N/C(C)CC
InChIInChI=1S/C7H14N2/c1-4-7(3)9-6-8-5-2/h5-7H,2,4H2,1,3H3,(H,8,9)
InChIKeyGJOYPQJYFRUWHL-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.55
Rot. Bonds4

About N'-butan-2-yl-N-ethenylmethanimidamide

N'-butan-2-yl-N-ethenylmethanimidamide (PubChem CID 139354464) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-butan-2-yl-N-ethenylmethanimidamide.

Molecular Properties

Compound NameN'-butan-2-yl-N-ethenylmethanimidamide
PubChem CID139354464
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-butan-2-yl-N-ethenylmethanimidamide
SMILESC=CN/C=N/C(C)CC
InChIInChI=1S/C7H14N2/c1-4-7(3)9-6-8-5-2/h5-7H,2,4H2,1,3H3,(H,8,9)
InChIKeyGJOYPQJYFRUWHL-UHFFFAOYSA-N
XLogP1.55
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.55
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'-butan-2-yl-N-ethenylmethanimidamide?
The IUPAC name of N'-butan-2-yl-N-ethenylmethanimidamide (CID 139354464) is N'-butan-2-yl-N-ethenylmethanimidamide.
What is the SMILES notation for N'-butan-2-yl-N-ethenylmethanimidamide?
The canonical SMILES for N'-butan-2-yl-N-ethenylmethanimidamide is C=CN/C=N/C(C)CC.
What is the InChIKey of N'-butan-2-yl-N-ethenylmethanimidamide?
The InChIKey is GJOYPQJYFRUWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-4-7(3)9-6-8-5-2/h5-7H,2,4H2,1,3H3,(H,8,9).
What are the key properties of N'-butan-2-yl-N-ethenylmethanimidamide?
N'-butan-2-yl-N-ethenylmethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.55, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-butan-2-yl-N-ethenylmethanimidamide is sourced from PubChem (CID 139354464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).