2-cyclohexa-2,4-dien-1-yl-2-methylpropanimidamide

C10H16N2 — CID 88977513

IUPAC2-cyclohexa-2,4-dien-1-yl-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)(C)C1C=CC=CC1
InChIInChI=1S/C10H16N2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-6,8H,7H2,1-2H3,(H3,11,12)
InChIKeyMYWJCSIYUZAQEL-UHFFFAOYSA-N
MW164.25 g/mol
LogP2.08
Rot. Bonds2

About 2-cyclohexa-2,4-dien-1-yl-2-methylpropanimidamide

2-cyclohexa-2,4-dien-1-yl-2-methylpropanimidamide (PubChem CID 88977513) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2-cyclohexa-2,4-dien-1-yl-2-methylpropanimidamide.

Molecular Properties

Compound Name2-cyclohexa-2,4-dien-1-yl-2-methylpropanimidamide
PubChem CID88977513
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2-cyclohexa-2,4-dien-1-yl-2-methylpropanimidamide
SMILES[H]/N=C(\N)C(C)(C)C1C=CC=CC1
InChIInChI=1S/C10H16N2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-6,8H,7H2,1-2H3,(H3,11,12)
InChIKeyMYWJCSIYUZAQEL-UHFFFAOYSA-N
XLogP2.08
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 52.08
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-2,4-dien-1-yl-2-methylpropanimidamide?
The IUPAC name of 2-cyclohexa-2,4-dien-1-yl-2-methylpropanimidamide (CID 88977513) is 2-cyclohexa-2,4-dien-1-yl-2-methylpropanimidamide.
What is the SMILES notation for 2-cyclohexa-2,4-dien-1-yl-2-methylpropanimidamide?
The canonical SMILES for 2-cyclohexa-2,4-dien-1-yl-2-methylpropanimidamide is [H]/N=C(\N)C(C)(C)C1C=CC=CC1.
What is the InChIKey of 2-cyclohexa-2,4-dien-1-yl-2-methylpropanimidamide?
The InChIKey is MYWJCSIYUZAQEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-10(2,9(11)12)8-6-4-3-5-7-8/h3-6,8H,7H2,1-2H3,(H3,11,12).
What are the key properties of 2-cyclohexa-2,4-dien-1-yl-2-methylpropanimidamide?
2-cyclohexa-2,4-dien-1-yl-2-methylpropanimidamide has a molecular weight of 164.25 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-2,4-dien-1-yl-2-methylpropanimidamide is sourced from PubChem (CID 88977513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).