2-cyclohex-2-en-1-ylethanimidamide

C8H14N2 — CID 55285451

IUPAC2-cyclohex-2-en-1-ylethanimidamide
SMILES[H]/N=C(\N)CC1C=CCCC1
InChIInChI=1S/C8H14N2/c9-8(10)6-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2,(H3,9,10)
InChIKeyHOBFYMKAVDFVSS-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.67
Rot. Bonds2

About 2-cyclohex-2-en-1-ylethanimidamide

2-cyclohex-2-en-1-ylethanimidamide (PubChem CID 55285451) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-ylethanimidamide.

Molecular Properties

Compound Name2-cyclohex-2-en-1-ylethanimidamide
PubChem CID55285451
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-cyclohex-2-en-1-ylethanimidamide
SMILES[H]/N=C(\N)CC1C=CCCC1
InChIInChI=1S/C8H14N2/c9-8(10)6-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2,(H3,9,10)
InChIKeyHOBFYMKAVDFVSS-UHFFFAOYSA-N
XLogP1.67
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.67
H-Bond Donors ≤ 52
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohex-2-en-1-ylethanimidamide?
The IUPAC name of 2-cyclohex-2-en-1-ylethanimidamide (CID 55285451) is 2-cyclohex-2-en-1-ylethanimidamide.
What is the SMILES notation for 2-cyclohex-2-en-1-ylethanimidamide?
The canonical SMILES for 2-cyclohex-2-en-1-ylethanimidamide is [H]/N=C(\N)CC1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-ylethanimidamide?
The InChIKey is HOBFYMKAVDFVSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c9-8(10)6-7-4-2-1-3-5-7/h2,4,7H,1,3,5-6H2,(H3,9,10).
What are the key properties of 2-cyclohex-2-en-1-ylethanimidamide?
2-cyclohex-2-en-1-ylethanimidamide has a molecular weight of 138.21 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-ylethanimidamide is sourced from PubChem (CID 55285451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).