2,4-dimethyl-6-oxabicyclo[3.1.0]hex-1(5)-en-2-amine

C7H11NO — CID 155382321

IUPAC2,4-dimethyl-6-oxabicyclo[3.1.0]hex-1(5)-en-2-amine
SMILESCC1CC(C)(N)C2=C1O2
InChIInChI=1S/C7H11NO/c1-4-3-7(2,8)6-5(4)9-6/h4H,3,8H2,1-2H3
InChIKeyOWTZREDORFMUMF-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.99
Rot. Bonds

About 2,4-dimethyl-6-oxabicyclo[3.1.0]hex-1(5)-en-2-amine

2,4-dimethyl-6-oxabicyclo[3.1.0]hex-1(5)-en-2-amine (PubChem CID 155382321) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 2,4-dimethyl-6-oxabicyclo[3.1.0]hex-1(5)-en-2-amine.

Molecular Properties

Compound Name2,4-dimethyl-6-oxabicyclo[3.1.0]hex-1(5)-en-2-amine
PubChem CID155382321
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name2,4-dimethyl-6-oxabicyclo[3.1.0]hex-1(5)-en-2-amine
SMILESCC1CC(C)(N)C2=C1O2
InChIInChI=1S/C7H11NO/c1-4-3-7(2,8)6-5(4)9-6/h4H,3,8H2,1-2H3
InChIKeyOWTZREDORFMUMF-UHFFFAOYSA-N
XLogP0.99
TPSA38.55 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-methyl-2-oxabicyclo[1.1.0]butane
CID 173021460
6-methyl-2-[(2-methylcyclohexyl)methyl]-3,8-dioxatricyclo[5.1.0.02,4]oct-1(7)-ene
CID 87705082
(2R)-1-fluoro-1,2-dimethylcyclopropane
CID 147738297
1,1,3-trimethylcyclobutane
CID 12656861
1-methylcyclopropane-1,2-diamine
CID 15182447
(3S,6S)-4-amino-2,4,6-trimethyloxan-3-ol
CID 89339806
2,5-dimethylspiro[2.2]pentan-2-amine
CID 70451349
3,3-dimethylcyclobutan-1-amine
CID 14988402
(2S)-1,1,2-trimethylcyclopropane
CID 25022262
1-ethyl-3-oxatricyclo[3.2.1.02,4]oct-2(4)-ene
CID 67212236
2,5-dimethyl-1,3-dioxan-5-amine
CID 55290612
1,3,5-trimethylcyclohexan-1-amine;hydrochloride
CID 18783158

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-oxabicyclo[3.1.0]hex-1(5)-en-2-amine?
The IUPAC name of 2,4-dimethyl-6-oxabicyclo[3.1.0]hex-1(5)-en-2-amine (CID 155382321) is 2,4-dimethyl-6-oxabicyclo[3.1.0]hex-1(5)-en-2-amine.
What is the SMILES notation for 2,4-dimethyl-6-oxabicyclo[3.1.0]hex-1(5)-en-2-amine?
The canonical SMILES for 2,4-dimethyl-6-oxabicyclo[3.1.0]hex-1(5)-en-2-amine is CC1CC(C)(N)C2=C1O2.
What is the InChIKey of 2,4-dimethyl-6-oxabicyclo[3.1.0]hex-1(5)-en-2-amine?
The InChIKey is OWTZREDORFMUMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-4-3-7(2,8)6-5(4)9-6/h4H,3,8H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-oxabicyclo[3.1.0]hex-1(5)-en-2-amine?
2,4-dimethyl-6-oxabicyclo[3.1.0]hex-1(5)-en-2-amine has a molecular weight of 125.17 g/mol, XLogP of 0.99, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-oxabicyclo[3.1.0]hex-1(5)-en-2-amine is sourced from PubChem (CID 155382321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).