N'-but-3-enyl-N-ethylmethanimidamide

C7H14N2 — CID 137391848

IUPACN'-but-3-enyl-N-ethylmethanimidamide
SMILESC=CCC/N=C/NCC
InChIInChI=1S/C7H14N2/c1-3-5-6-9-7-8-4-2/h3,7H,1,4-6H2,2H3,(H,8,9)
InChIKeyZJHSQAQCBOJUQN-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.20
Rot. Bonds5

About N'-but-3-enyl-N-ethylmethanimidamide

N'-but-3-enyl-N-ethylmethanimidamide (PubChem CID 137391848) has the molecular formula C7H14N2 and a molecular weight of 126.20 g/mol. Its IUPAC name is N'-but-3-enyl-N-ethylmethanimidamide.

Molecular Properties

Compound NameN'-but-3-enyl-N-ethylmethanimidamide
PubChem CID137391848
Molecular FormulaC7H14N2
Molecular Weight126.20 g/mol
Exact Mass126.12
IUPAC NameN'-but-3-enyl-N-ethylmethanimidamide
SMILESC=CCC/N=C/NCC
InChIInChI=1S/C7H14N2/c1-3-5-6-9-7-8-4-2/h3,7H,1,4-6H2,2H3,(H,8,9)
InChIKeyZJHSQAQCBOJUQN-UHFFFAOYSA-N
XLogP1.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-but-3-enyl-N-ethylmethanimidamide?
The IUPAC name of N'-but-3-enyl-N-ethylmethanimidamide (CID 137391848) is N'-but-3-enyl-N-ethylmethanimidamide.
What is the SMILES notation for N'-but-3-enyl-N-ethylmethanimidamide?
The canonical SMILES for N'-but-3-enyl-N-ethylmethanimidamide is C=CCC/N=C/NCC.
What is the InChIKey of N'-but-3-enyl-N-ethylmethanimidamide?
The InChIKey is ZJHSQAQCBOJUQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2/c1-3-5-6-9-7-8-4-2/h3,7H,1,4-6H2,2H3,(H,8,9).
What are the key properties of N'-but-3-enyl-N-ethylmethanimidamide?
N'-but-3-enyl-N-ethylmethanimidamide has a molecular weight of 126.20 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-but-3-enyl-N-ethylmethanimidamide is sourced from PubChem (CID 137391848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).