4-(1,2-benzoxazin-2-yl)cyclohexene-1-carboximidamide

C15H17N3O — CID 70082434

IUPAC4-(1,2-benzoxazin-2-yl)cyclohexene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CCC(N2C=Cc3ccccc3O2)CC1
InChIInChI=1S/C15H17N3O/c16-15(17)12-5-7-13(8-6-12)18-10-9-11-3-1-2-4-14(11)19-18/h1-5,9-10,13H,6-8H2,(H3,16,17)
InChIKeyHHKIMCDKTVLHFI-UHFFFAOYSA-N
MW255.32 g/mol
LogP2.68
Rot. Bonds2

About 4-(1,2-benzoxazin-2-yl)cyclohexene-1-carboximidamide

4-(1,2-benzoxazin-2-yl)cyclohexene-1-carboximidamide (PubChem CID 70082434) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(1,2-benzoxazin-2-yl)cyclohexene-1-carboximidamide.

Molecular Properties

Compound Name4-(1,2-benzoxazin-2-yl)cyclohexene-1-carboximidamide
PubChem CID70082434
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(1,2-benzoxazin-2-yl)cyclohexene-1-carboximidamide
SMILES[H]/N=C(\N)C1=CCC(N2C=Cc3ccccc3O2)CC1
InChIInChI=1S/C15H17N3O/c16-15(17)12-5-7-13(8-6-12)18-10-9-11-3-1-2-4-14(11)19-18/h1-5,9-10,13H,6-8H2,(H3,16,17)
InChIKeyHHKIMCDKTVLHFI-UHFFFAOYSA-N
XLogP2.68
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

1-(1,2-benzoxazin-2-yl)-4,5-dihydroimidazol-2-amine
CID 18703632
benzenecarboximidamide;sulfane
CID 172701796
3,4-dihydro-2H-1,5-benzodioxepine-4-carboximidamide
CID 82527497
2-[methyl(oxan-4-yl)amino]quinoline-4-carboximidamide
CID 63883955
5-bromo-5-phenylcyclohexa-1,3-diene-1-carboximidamide
CID 23156116
2-[cyclopentyl(methyl)amino]benzenecarboximidamide
CID 43267235
4-(4,5-dihydro-1,2-oxazol-3-yl)benzenecarboximidamide
CID 22934841
2-(3,5-dihydro-2H-1,4-benzoxazepin-4-yl)ethanimidamide
CID 63193142
2-(2,5-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43544651
2-fluoro-6-(3-hydroxy-8-azabicyclo[3.2.1]octan-8-yl)benzenecarboximidamide
CID 79519738
2-(2,6-dimethylmorpholin-4-yl)benzenecarboximidamide
CID 43199936
2-(1-methylpiperidin-4-yl)oxybenzenecarboximidamide;hydrochloride
CID 82240674

Frequently Asked Questions

What is the IUPAC name of 4-(1,2-benzoxazin-2-yl)cyclohexene-1-carboximidamide?
The IUPAC name of 4-(1,2-benzoxazin-2-yl)cyclohexene-1-carboximidamide (CID 70082434) is 4-(1,2-benzoxazin-2-yl)cyclohexene-1-carboximidamide.
What is the SMILES notation for 4-(1,2-benzoxazin-2-yl)cyclohexene-1-carboximidamide?
The canonical SMILES for 4-(1,2-benzoxazin-2-yl)cyclohexene-1-carboximidamide is [H]/N=C(\N)C1=CCC(N2C=Cc3ccccc3O2)CC1.
What is the InChIKey of 4-(1,2-benzoxazin-2-yl)cyclohexene-1-carboximidamide?
The InChIKey is HHKIMCDKTVLHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c16-15(17)12-5-7-13(8-6-12)18-10-9-11-3-1-2-4-14(11)19-18/h1-5,9-10,13H,6-8H2,(H3,16,17).
What are the key properties of 4-(1,2-benzoxazin-2-yl)cyclohexene-1-carboximidamide?
4-(1,2-benzoxazin-2-yl)cyclohexene-1-carboximidamide has a molecular weight of 255.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-benzoxazin-2-yl)cyclohexene-1-carboximidamide is sourced from PubChem (CID 70082434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).