5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine

C9H14N2O — CID 112714362

IUPAC5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine
SMILESCC1(C)CCc2oncc2C1N
InChIInChI=1S/C9H14N2O/c1-9(2)4-3-7-6(8(9)10)5-11-12-7/h5,8H,3-4,10H2,1-2H3
InChIKeyKRJDGCIIEGZLFV-UHFFFAOYSA-N
MW166.22 g/mol
LogP1.65
Rot. Bonds

About 5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine

5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine (PubChem CID 112714362) has the molecular formula C9H14N2O and a molecular weight of 166.22 g/mol. Its IUPAC name is 5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine.

Molecular Properties

Compound Name5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine
PubChem CID112714362
Molecular FormulaC9H14N2O
Molecular Weight166.22 g/mol
Exact Mass166.11
IUPAC Name5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine
SMILESCC1(C)CCc2oncc2C1N
InChIInChI=1S/C9H14N2O/c1-9(2)4-3-7-6(8(9)10)5-11-12-7/h5,8H,3-4,10H2,1-2H3
InChIKeyKRJDGCIIEGZLFV-UHFFFAOYSA-N
XLogP1.65
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.22
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine
CID 112715970
spiro[6,7-dihydro-4H-1,2-benzoxazole-5,1'-cyclopropane]-4-ylmethanamine
CID 112714534
1-(5-methyl-4,5,6,7-tetrahydro-1,2-benzoxazol-4-yl)ethanamine
CID 112714689
N-methylspiro[4,6-dihydrocyclopenta[d][1,2]oxazole-5,1'-cyclopropane]-4-amine
CID 112714254
spiro[6,7-dihydro-1,2-benzoxazole-5,1'-cyclobutane]-4-one
CID 112714478
2-(5-methyl-5,6-dihydro-4H-cyclopenta[d][1,2]oxazol-4-yl)propan-1-amine
CID 112714684
(6S)-4,5,6,7-tetrahydro-1,2-benzoxazol-6-amine
CID 92546013
2-bromo-6,6-dimethyl-5,7-dihydro-4H-1-benzofuran-7-amine
CID 131373186
6,6-dimethylspiro[4,5-dihydro-1,2-benzoxazole-7,3'-pyrrolidine]
CID 112715956
4,5,6,7-tetrahydro-1,2-benzoxazol-5-ylmethanol
CID 84649753
[(5R)-4,5,6,7-tetrahydro-1,2-benzoxazol-5-yl]methanol
CID 129407508
(2-ethyl-5,5-dimethyl-6,7-dihydro-4H-1-benzofuran-4-yl)methanamine
CID 112716095

Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine?
The IUPAC name of 5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine (CID 112714362) is 5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine.
What is the SMILES notation for 5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine?
The canonical SMILES for 5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine is CC1(C)CCc2oncc2C1N.
What is the InChIKey of 5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine?
The InChIKey is KRJDGCIIEGZLFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O/c1-9(2)4-3-7-6(8(9)10)5-11-12-7/h5,8H,3-4,10H2,1-2H3.
What are the key properties of 5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine?
5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine has a molecular weight of 166.22 g/mol, XLogP of 1.65, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-6,7-dihydro-4H-1,2-benzoxazol-4-amine is sourced from PubChem (CID 112714362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).