8,8-dimethyl-N-prop-2-enyl-2-oxabicyclo[4.2.0]octan-7-amine

C12H21NO — CID 64864172

IUPAC8,8-dimethyl-N-prop-2-enyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESC=CCNC1C2CCCOC2C1(C)C
InChIInChI=1S/C12H21NO/c1-4-7-13-10-9-6-5-8-14-11(9)12(10,2)3/h4,9-11,13H,1,5-8H2,2-3H3
InChIKeyYYTTXMJFAUEZQY-UHFFFAOYSA-N
MW195.31 g/mol
LogP1.97
Rot. Bonds3

About 8,8-dimethyl-N-prop-2-enyl-2-oxabicyclo[4.2.0]octan-7-amine

8,8-dimethyl-N-prop-2-enyl-2-oxabicyclo[4.2.0]octan-7-amine (PubChem CID 64864172) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 8,8-dimethyl-N-prop-2-enyl-2-oxabicyclo[4.2.0]octan-7-amine.

Molecular Properties

Compound Name8,8-dimethyl-N-prop-2-enyl-2-oxabicyclo[4.2.0]octan-7-amine
PubChem CID64864172
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name8,8-dimethyl-N-prop-2-enyl-2-oxabicyclo[4.2.0]octan-7-amine
SMILESC=CCNC1C2CCCOC2C1(C)C
InChIInChI=1S/C12H21NO/c1-4-7-13-10-9-6-5-8-14-11(9)12(10,2)3/h4,9-11,13H,1,5-8H2,2-3H3
InChIKeyYYTTXMJFAUEZQY-UHFFFAOYSA-N
XLogP1.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8,8-dimethyl-N-prop-2-enyl-2-oxabicyclo[4.2.0]octan-7-amine?
The IUPAC name of 8,8-dimethyl-N-prop-2-enyl-2-oxabicyclo[4.2.0]octan-7-amine (CID 64864172) is 8,8-dimethyl-N-prop-2-enyl-2-oxabicyclo[4.2.0]octan-7-amine.
What is the SMILES notation for 8,8-dimethyl-N-prop-2-enyl-2-oxabicyclo[4.2.0]octan-7-amine?
The canonical SMILES for 8,8-dimethyl-N-prop-2-enyl-2-oxabicyclo[4.2.0]octan-7-amine is C=CCNC1C2CCCOC2C1(C)C.
What is the InChIKey of 8,8-dimethyl-N-prop-2-enyl-2-oxabicyclo[4.2.0]octan-7-amine?
The InChIKey is YYTTXMJFAUEZQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-7-13-10-9-6-5-8-14-11(9)12(10,2)3/h4,9-11,13H,1,5-8H2,2-3H3.
What are the key properties of 8,8-dimethyl-N-prop-2-enyl-2-oxabicyclo[4.2.0]octan-7-amine?
8,8-dimethyl-N-prop-2-enyl-2-oxabicyclo[4.2.0]octan-7-amine has a molecular weight of 195.31 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-dimethyl-N-prop-2-enyl-2-oxabicyclo[4.2.0]octan-7-amine is sourced from PubChem (CID 64864172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).