N,1-dimethyl-2-oxabicyclo[2.1.1]hexan-4-amine

C7H13NO — CID 152983655

IUPACN,1-dimethyl-2-oxabicyclo[2.1.1]hexan-4-amine
SMILESCNC12COC(C)(C1)C2
InChIInChI=1S/C7H13NO/c1-6-3-7(4-6,8-2)5-9-6/h8H,3-5H2,1-2H3
InChIKeyUUWNHCHEEXARPG-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.53
Rot. Bonds1

About N,1-dimethyl-2-oxabicyclo[2.1.1]hexan-4-amine

N,1-dimethyl-2-oxabicyclo[2.1.1]hexan-4-amine (PubChem CID 152983655) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is N,1-dimethyl-2-oxabicyclo[2.1.1]hexan-4-amine.

Molecular Properties

Compound NameN,1-dimethyl-2-oxabicyclo[2.1.1]hexan-4-amine
PubChem CID152983655
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC NameN,1-dimethyl-2-oxabicyclo[2.1.1]hexan-4-amine
SMILESCNC12COC(C)(C1)C2
InChIInChI=1S/C7H13NO/c1-6-3-7(4-6,8-2)5-9-6/h8H,3-5H2,1-2H3
InChIKeyUUWNHCHEEXARPG-UHFFFAOYSA-N
XLogP0.53
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N,1-dimethyl-2-oxabicyclo[2.1.1]hexan-4-amine?
The IUPAC name of N,1-dimethyl-2-oxabicyclo[2.1.1]hexan-4-amine (CID 152983655) is N,1-dimethyl-2-oxabicyclo[2.1.1]hexan-4-amine.
What is the SMILES notation for N,1-dimethyl-2-oxabicyclo[2.1.1]hexan-4-amine?
The canonical SMILES for N,1-dimethyl-2-oxabicyclo[2.1.1]hexan-4-amine is CNC12COC(C)(C1)C2.
What is the InChIKey of N,1-dimethyl-2-oxabicyclo[2.1.1]hexan-4-amine?
The InChIKey is UUWNHCHEEXARPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6-3-7(4-6,8-2)5-9-6/h8H,3-5H2,1-2H3.
What are the key properties of N,1-dimethyl-2-oxabicyclo[2.1.1]hexan-4-amine?
N,1-dimethyl-2-oxabicyclo[2.1.1]hexan-4-amine has a molecular weight of 127.19 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-dimethyl-2-oxabicyclo[2.1.1]hexan-4-amine is sourced from PubChem (CID 152983655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).