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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Related Compounds

(3Z,5Z)-6-N-[(E)-3-methylpent-2-en-2-yl]-5-(2-pyrrolidin-1-ylethoxy)hepta-1,3,5-triene-2,6-diamine
CID 129236607
N-[(Z)-but-2-enyl]-5-[2-(dimethylamino)ethoxy]-N-methylcyclohepta-1,4,6-trien-1-amine;ethane
CID 143099774
ethane;(4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine
CID 143282156
ethane;methane;1-[1-[(3Z,5Z)-5-methylhepta-1,3,5-trien-2-yl]oxybuta-2,3-dien-2-yl]piperazine
CID 144345949
ethane;3-methyl-2-(3-methyl-1,2-dihydropyridin-6-yl)-4,5,6,7-tetrahydro-2H-[1,3]oxazolo[4,5-c]pyridine
CID 144612709
(4Z,6E,8Z)-6-(2-aminoethoxy)-N-methyl-N-[(Z)-2-methylbut-1-enyl]deca-4,6,8-trien-5-amine
CID 174001074
(4E)-3-N-[[(4Z,5E)-4-ethylidene-5-propylidene-1H-pyrrol-2-yl]methyl]-4-methoxy-1-N-[(2Z)-4-methylpenta-2,4-dien-2-yl]hexa-2,4-diene-1,3-diamine
CID 143282157
N-methyl-1-(3-methylidene-4,7-dihydrocyclohepta[b][1,4]oxazin-7-yl)methanamine
CID 143344482
3-(7,8-dimethyl-3-methylidene-5H-cyclohepta[b][1,4]oxazin-4-yl)prop-1-en-2-amine
CID 144852134

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).