(E)-2-(6,6-dimethyl-2,3-dihydropyran-4-yl)ethenamine

C9H15NO — CID 166966843

IUPAC(E)-2-(6,6-dimethyl-2,3-dihydropyran-4-yl)ethenamine
SMILESCC1(C)C=C(/C=C/N)CCO1
InChIInChI=1S/C9H15NO/c1-9(2)7-8(3-5-10)4-6-11-9/h3,5,7H,4,6,10H2,1-2H3/b5-3+
InChIKeyZAKIWODZDWCUSR-HWKANZROSA-N
MW153.22 g/mol
LogP1.58
Rot. Bonds1

About (E)-2-(6,6-dimethyl-2,3-dihydropyran-4-yl)ethenamine

(E)-2-(6,6-dimethyl-2,3-dihydropyran-4-yl)ethenamine (PubChem CID 166966843) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (E)-2-(6,6-dimethyl-2,3-dihydropyran-4-yl)ethenamine.

Molecular Properties

Compound Name(E)-2-(6,6-dimethyl-2,3-dihydropyran-4-yl)ethenamine
PubChem CID166966843
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(E)-2-(6,6-dimethyl-2,3-dihydropyran-4-yl)ethenamine
SMILESCC1(C)C=C(/C=C/N)CCO1
InChIInChI=1S/C9H15NO/c1-9(2)7-8(3-5-10)4-6-11-9/h3,5,7H,4,6,10H2,1-2H3/b5-3+
InChIKeyZAKIWODZDWCUSR-HWKANZROSA-N
XLogP1.58
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (E)-2-(6,6-dimethyl-2,3-dihydropyran-4-yl)ethenamine?
The IUPAC name of (E)-2-(6,6-dimethyl-2,3-dihydropyran-4-yl)ethenamine (CID 166966843) is (E)-2-(6,6-dimethyl-2,3-dihydropyran-4-yl)ethenamine.
What is the SMILES notation for (E)-2-(6,6-dimethyl-2,3-dihydropyran-4-yl)ethenamine?
The canonical SMILES for (E)-2-(6,6-dimethyl-2,3-dihydropyran-4-yl)ethenamine is CC1(C)C=C(/C=C/N)CCO1.
What is the InChIKey of (E)-2-(6,6-dimethyl-2,3-dihydropyran-4-yl)ethenamine?
The InChIKey is ZAKIWODZDWCUSR-HWKANZROSA-N. The full InChI is InChI=1S/C9H15NO/c1-9(2)7-8(3-5-10)4-6-11-9/h3,5,7H,4,6,10H2,1-2H3/b5-3+.
What are the key properties of (E)-2-(6,6-dimethyl-2,3-dihydropyran-4-yl)ethenamine?
(E)-2-(6,6-dimethyl-2,3-dihydropyran-4-yl)ethenamine has a molecular weight of 153.22 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(6,6-dimethyl-2,3-dihydropyran-4-yl)ethenamine is sourced from PubChem (CID 166966843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).