7,7-dimethyl-N-prop-2-enyl-2-oxabicyclo[3.2.0]heptan-6-amine

C11H19NO — CID 64872212

IUPAC7,7-dimethyl-N-prop-2-enyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESC=CCNC1C2CCOC2C1(C)C
InChIInChI=1S/C11H19NO/c1-4-6-12-9-8-5-7-13-10(8)11(9,2)3/h4,8-10,12H,1,5-7H2,2-3H3
InChIKeyNAWREGJKMNMEKT-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.58
Rot. Bonds3

About 7,7-dimethyl-N-prop-2-enyl-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-N-prop-2-enyl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 64872212) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 7,7-dimethyl-N-prop-2-enyl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-prop-2-enyl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID64872212
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name7,7-dimethyl-N-prop-2-enyl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESC=CCNC1C2CCOC2C1(C)C
InChIInChI=1S/C11H19NO/c1-4-6-12-9-8-5-7-13-10(8)11(9,2)3/h4,8-10,12H,1,5-7H2,2-3H3
InChIKeyNAWREGJKMNMEKT-UHFFFAOYSA-N
XLogP1.58
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.58
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 7,7-dimethyl-N-prop-2-enyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-N-prop-2-enyl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 64872212) is 7,7-dimethyl-N-prop-2-enyl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-N-prop-2-enyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-N-prop-2-enyl-2-oxabicyclo[3.2.0]heptan-6-amine is C=CCNC1C2CCOC2C1(C)C.
What is the InChIKey of 7,7-dimethyl-N-prop-2-enyl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is NAWREGJKMNMEKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-4-6-12-9-8-5-7-13-10(8)11(9,2)3/h4,8-10,12H,1,5-7H2,2-3H3.
What are the key properties of 7,7-dimethyl-N-prop-2-enyl-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-N-prop-2-enyl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 181.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-prop-2-enyl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 64872212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).