N-chloro-N'-ethylpent-4-enimidamide

C7H13ClN2 — CID 166865049

IUPACN-chloro-N'-ethylpent-4-enimidamide
SMILESC=CCC/C(=N\CC)NCl
InChIInChI=1S/C7H13ClN2/c1-3-5-6-7(10-8)9-4-2/h3H,1,4-6H2,2H3,(H,9,10)
InChIKeyTWRMTOLUNINJII-UHFFFAOYSA-N
MW160.65 g/mol
LogP2.11
Rot. Bonds4

About N-chloro-N'-ethylpent-4-enimidamide

N-chloro-N'-ethylpent-4-enimidamide (PubChem CID 166865049) has the molecular formula C7H13ClN2 and a molecular weight of 160.65 g/mol. Its IUPAC name is N-chloro-N'-ethylpent-4-enimidamide.

Molecular Properties

Compound NameN-chloro-N'-ethylpent-4-enimidamide
PubChem CID166865049
Molecular FormulaC7H13ClN2
Molecular Weight160.65 g/mol
Exact Mass160.08
IUPAC NameN-chloro-N'-ethylpent-4-enimidamide
SMILESC=CCC/C(=N\CC)NCl
InChIInChI=1S/C7H13ClN2/c1-3-5-6-7(10-8)9-4-2/h3H,1,4-6H2,2H3,(H,9,10)
InChIKeyTWRMTOLUNINJII-UHFFFAOYSA-N
XLogP2.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.65
LogP ≤ 52.11
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-chloro-N'-ethylpent-4-enimidamide?
The IUPAC name of N-chloro-N'-ethylpent-4-enimidamide (CID 166865049) is N-chloro-N'-ethylpent-4-enimidamide.
What is the SMILES notation for N-chloro-N'-ethylpent-4-enimidamide?
The canonical SMILES for N-chloro-N'-ethylpent-4-enimidamide is C=CCC/C(=N\CC)NCl.
What is the InChIKey of N-chloro-N'-ethylpent-4-enimidamide?
The InChIKey is TWRMTOLUNINJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClN2/c1-3-5-6-7(10-8)9-4-2/h3H,1,4-6H2,2H3,(H,9,10).
What are the key properties of N-chloro-N'-ethylpent-4-enimidamide?
N-chloro-N'-ethylpent-4-enimidamide has a molecular weight of 160.65 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-chloro-N'-ethylpent-4-enimidamide is sourced from PubChem (CID 166865049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).