3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine;ethane

C19H32N2O — CID 144852133

IUPAC3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine;ethane
SMILESC=C(N)CN1C(=C)COC2=C1CC=C(C)C(C)=C2.CC.CC
InChIInChI=1S/C15H20N2O.2C2H6/c1-10-5-6-14-15(7-11(10)2)18-9-13(4)17(14)8-12(3)16;2*1-2/h5,7H,3-4,6,8-9,16H2,1-2H3;2*1-2H3
InChIKeyWLAUEQWJMPCFPA-UHFFFAOYSA-N
MW304.48 g/mol
LogP4.86
Rot. Bonds2

About 3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine;ethane

3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine;ethane (PubChem CID 144852133) has the molecular formula C19H32N2O and a molecular weight of 304.48 g/mol. Its IUPAC name is 3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine;ethane.

Molecular Properties

Compound Name3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine;ethane
PubChem CID144852133
Molecular FormulaC19H32N2O
Molecular Weight304.48 g/mol
Exact Mass304.25
IUPAC Name3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine;ethane
SMILESC=C(N)CN1C(=C)COC2=C1CC=C(C)C(C)=C2.CC.CC
InChIInChI=1S/C15H20N2O.2C2H6/c1-10-5-6-14-15(7-11(10)2)18-9-13(4)17(14)8-12(3)16;2*1-2/h5,7H,3-4,6,8-9,16H2,1-2H3;2*1-2H3
InChIKeyWLAUEQWJMPCFPA-UHFFFAOYSA-N
XLogP4.86
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.48
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine;ethane?
The IUPAC name of 3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine;ethane (CID 144852133) is 3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine;ethane.
What is the SMILES notation for 3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine;ethane?
The canonical SMILES for 3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine;ethane is C=C(N)CN1C(=C)COC2=C1CC=C(C)C(C)=C2.CC.CC.
What is the InChIKey of 3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine;ethane?
The InChIKey is WLAUEQWJMPCFPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.2C2H6/c1-10-5-6-14-15(7-11(10)2)18-9-13(4)17(14)8-12(3)16;2*1-2/h5,7H,3-4,6,8-9,16H2,1-2H3;2*1-2H3.
What are the key properties of 3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine;ethane?
3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine;ethane has a molecular weight of 304.48 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine;ethane is sourced from PubChem (CID 144852133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).