7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine

C13H23NO — CID 115906316

IUPAC7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESC=CCC(C)NC1C2CCOC2C1(C)C
InChIInChI=1S/C13H23NO/c1-5-6-9(2)14-11-10-7-8-15-12(10)13(11,3)4/h5,9-12,14H,1,6-8H2,2-4H3
InChIKeyWWOBWCXOMJXRIU-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.35
Rot. Bonds4

About 7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine

7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine (PubChem CID 115906316) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine.

Molecular Properties

Compound Name7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine
PubChem CID115906316
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine
SMILESC=CCC(C)NC1C2CCOC2C1(C)C
InChIInChI=1S/C13H23NO/c1-5-6-9(2)14-11-10-7-8-15-12(10)13(11,3)4/h5,9-12,14H,1,6-8H2,2-4H3
InChIKeyWWOBWCXOMJXRIU-UHFFFAOYSA-N
XLogP2.35
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.35
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-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine?
The IUPAC name of 7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine (CID 115906316) is 7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine.
What is the SMILES notation for 7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine?
The canonical SMILES for 7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine is C=CCC(C)NC1C2CCOC2C1(C)C.
What is the InChIKey of 7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine?
The InChIKey is WWOBWCXOMJXRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-6-9(2)14-11-10-7-8-15-12(10)13(11,3)4/h5,9-12,14H,1,6-8H2,2-4H3.
What are the key properties of 7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine?
7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine has a molecular weight of 209.33 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-N-pent-4-en-2-yl-2-oxabicyclo[3.2.0]heptan-6-amine is sourced from PubChem (CID 115906316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).