7,8-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene-3-carboximidamide

C11H14N2 — CID 20814090

IUPAC7,8-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)C(C)C2C
InChIInChI=1S/C11H14N2/c1-6-7(2)10-5-8(11(12)13)3-4-9(6)10/h3-7H,1-2H3,(H3,12,13)
InChIKeyKOQVURVWVQZEOQ-UHFFFAOYSA-N
MW174.25 g/mol
LogP2.19
Rot. Bonds1

About 7,8-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene-3-carboximidamide

7,8-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene-3-carboximidamide (PubChem CID 20814090) has the molecular formula C11H14N2 and a molecular weight of 174.25 g/mol. Its IUPAC name is 7,8-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene-3-carboximidamide.

Molecular Properties

Compound Name7,8-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene-3-carboximidamide
PubChem CID20814090
Molecular FormulaC11H14N2
Molecular Weight174.25 g/mol
Exact Mass174.12
IUPAC Name7,8-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc2c(c1)C(C)C2C
InChIInChI=1S/C11H14N2/c1-6-7(2)10-5-8(11(12)13)3-4-9(6)10/h3-7H,1-2H3,(H3,12,13)
InChIKeyKOQVURVWVQZEOQ-UHFFFAOYSA-N
XLogP2.19
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.25
LogP ≤ 52.19
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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Related Compounds

3,4-dimethylbenzenecarboximidamide;ethanamine
CID 142030148
4-aminobenzenecarboximidamide;ethane
CID 142339418
4-ethanimidoylbenzenecarboximidamide
CID 148687988
2,1,3-benzoxadiazole-5-carboximidamide
CID 140791723
3-sulfanylbenzenecarboximidamide
CID 69159686
ethane;4-phenylbenzenecarboximidamide
CID 91221015
4-ethylbenzenecarboximidamide;hydrochloride
CID 15564107
3-butan-2-ylbenzenecarboximidamide
CID 129164232
3-(diethylamino)-4-methylbenzenecarboximidamide
CID 173214309
6-methoxynaphthalene-2-carboximidamide
CID 3274917
4-methylphosphanylbenzenecarboximidamide
CID 156750976
4-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43188175

Frequently Asked Questions

What is the IUPAC name of 7,8-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene-3-carboximidamide?
The IUPAC name of 7,8-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene-3-carboximidamide (CID 20814090) is 7,8-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene-3-carboximidamide.
What is the SMILES notation for 7,8-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene-3-carboximidamide?
The canonical SMILES for 7,8-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene-3-carboximidamide is [H]/N=C(\N)c1ccc2c(c1)C(C)C2C.
What is the InChIKey of 7,8-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene-3-carboximidamide?
The InChIKey is KOQVURVWVQZEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2/c1-6-7(2)10-5-8(11(12)13)3-4-9(6)10/h3-7H,1-2H3,(H3,12,13).
What are the key properties of 7,8-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene-3-carboximidamide?
7,8-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene-3-carboximidamide has a molecular weight of 174.25 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dimethylbicyclo[4.2.0]octa-1(6),2,4-triene-3-carboximidamide is sourced from PubChem (CID 20814090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).