2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine

C10H17NO — CID 79179041

IUPAC2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine
SMILESC=C(C)C(N)C1CC2CCC1O2
InChIInChI=1S/C10H17NO/c1-6(2)10(11)8-5-7-3-4-9(8)12-7/h7-10H,1,3-5,11H2,2H3
InChIKeyUYFQVAXFKYUOBC-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.46
Rot. Bonds2

About 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine

2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine (PubChem CID 79179041) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine.

Molecular Properties

Compound Name2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine
PubChem CID79179041
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine
SMILESC=C(C)C(N)C1CC2CCC1O2
InChIInChI=1S/C10H17NO/c1-6(2)10(11)8-5-7-3-4-9(8)12-7/h7-10H,1,3-5,11H2,2H3
InChIKeyUYFQVAXFKYUOBC-UHFFFAOYSA-N
XLogP1.46
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.46
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 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine?
The IUPAC name of 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine (CID 79179041) is 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine.
What is the SMILES notation for 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine?
The canonical SMILES for 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine is C=C(C)C(N)C1CC2CCC1O2.
What is the InChIKey of 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine?
The InChIKey is UYFQVAXFKYUOBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-6(2)10(11)8-5-7-3-4-9(8)12-7/h7-10H,1,3-5,11H2,2H3.
What are the key properties of 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine?
2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine has a molecular weight of 167.25 g/mol, XLogP of 1.46, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(7-oxabicyclo[2.2.1]heptan-2-yl)prop-2-en-1-amine is sourced from PubChem (CID 79179041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).