2-propan-2-yl-1,2-benzoxazin-5-amine

C11H14N2O — CID 170328676

IUPAC2-propan-2-yl-1,2-benzoxazin-5-amine
SMILESCC(C)N1C=Cc2c(N)cccc2O1
InChIInChI=1S/C11H14N2O/c1-8(2)13-7-6-9-10(12)4-3-5-11(9)14-13/h3-8H,12H2,1-2H3
InChIKeyPMGISSXEEXGYIV-UHFFFAOYSA-N
MW190.25 g/mol
LogP2.26
Rot. Bonds1

About 2-propan-2-yl-1,2-benzoxazin-5-amine

2-propan-2-yl-1,2-benzoxazin-5-amine (PubChem CID 170328676) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 2-propan-2-yl-1,2-benzoxazin-5-amine.

Molecular Properties

Compound Name2-propan-2-yl-1,2-benzoxazin-5-amine
PubChem CID170328676
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name2-propan-2-yl-1,2-benzoxazin-5-amine
SMILESCC(C)N1C=Cc2c(N)cccc2O1
InChIInChI=1S/C11H14N2O/c1-8(2)13-7-6-9-10(12)4-3-5-11(9)14-13/h3-8H,12H2,1-2H3
InChIKeyPMGISSXEEXGYIV-UHFFFAOYSA-N
XLogP2.26
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-propan-2-yl-1H-isoquinolin-5-amine
CID 170308696
2-tert-butyl-1H-isoquinolin-5-amine
CID 169302651
1H-inden-4-amine;methanamine
CID 174766313
(2S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-4-amine
CID 166864646
5-amino-2-ethyl-4-propan-2-yl-1,4-benzoxazin-3-one
CID 82346193
2-(5-amino-3-oxo-1,4-benzoxazin-4-yl)propanoic acid
CID 82346033
4-(3-methylbutyl)-2-propan-2-yl-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345878
2-propan-2-yl-4-propyl-2,3-dihydro-1,4-benzoxazin-5-amine
CID 82345869
5-amino-4-methyl-2-propan-2-yl-1,4-benzoxazin-3-one
CID 82346236
2-(3-amino-2-oxo-1-pyridinyl)-N-pentan-3-ylacetamide
CID 62102777
1-propan-2-ylbenzimidazole-2,4-diamine
CID 84771598
3-fluoro-2-[[methyl(3-methylbutan-2-yl)amino]methyl]aniline
CID 63330927

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-1,2-benzoxazin-5-amine?
The IUPAC name of 2-propan-2-yl-1,2-benzoxazin-5-amine (CID 170328676) is 2-propan-2-yl-1,2-benzoxazin-5-amine.
What is the SMILES notation for 2-propan-2-yl-1,2-benzoxazin-5-amine?
The canonical SMILES for 2-propan-2-yl-1,2-benzoxazin-5-amine is CC(C)N1C=Cc2c(N)cccc2O1.
What is the InChIKey of 2-propan-2-yl-1,2-benzoxazin-5-amine?
The InChIKey is PMGISSXEEXGYIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-8(2)13-7-6-9-10(12)4-3-5-11(9)14-13/h3-8H,12H2,1-2H3.
What are the key properties of 2-propan-2-yl-1,2-benzoxazin-5-amine?
2-propan-2-yl-1,2-benzoxazin-5-amine has a molecular weight of 190.25 g/mol, XLogP of 2.26, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-1,2-benzoxazin-5-amine is sourced from PubChem (CID 170328676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).