ethene;(E)-2-ethenylbut-2-en-1-amine;5-methoxy-1,2,3,4-tetrahydronaphthalene

C19H29NO — CID 143731068

IUPACethene;(E)-2-ethenylbut-2-en-1-amine;5-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESC=C.C=C/C(=C\C)CN.COc1cccc2c1CCCC2
InChIInChI=1S/C11H14O.C6H11N.C2H4/c1-12-11-8-4-6-9-5-2-3-7-10(9)11;1-3-6(4-2)5-7;1-2/h4,6,8H,2-3,5,7H2,1H3;3-4H,1,5,7H2,2H3;1-2H2/b;6-4+;
InChIKeyFFXFCARXMPKEPU-HWWUXOKASA-N
MW287.45 g/mol
LogP4.45
Rot. Bonds3

About ethene;(E)-2-ethenylbut-2-en-1-amine;5-methoxy-1,2,3,4-tetrahydronaphthalene

ethene;(E)-2-ethenylbut-2-en-1-amine;5-methoxy-1,2,3,4-tetrahydronaphthalene (PubChem CID 143731068) has the molecular formula C19H29NO and a molecular weight of 287.45 g/mol. Its IUPAC name is ethene;(E)-2-ethenylbut-2-en-1-amine;5-methoxy-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Nameethene;(E)-2-ethenylbut-2-en-1-amine;5-methoxy-1,2,3,4-tetrahydronaphthalene
PubChem CID143731068
Molecular FormulaC19H29NO
Molecular Weight287.45 g/mol
Exact Mass287.22
IUPAC Nameethene;(E)-2-ethenylbut-2-en-1-amine;5-methoxy-1,2,3,4-tetrahydronaphthalene
SMILESC=C.C=C/C(=C\C)CN.COc1cccc2c1CCCC2
InChIInChI=1S/C11H14O.C6H11N.C2H4/c1-12-11-8-4-6-9-5-2-3-7-10(9)11;1-3-6(4-2)5-7;1-2/h4,6,8H,2-3,5,7H2,1H3;3-4H,1,5,7H2,2H3;1-2H2/b;6-4+;
InChIKeyFFXFCARXMPKEPU-HWWUXOKASA-N
XLogP4.45
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethene;(E)-2-ethenylbut-2-en-1-amine;5-methoxy-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of ethene;(E)-2-ethenylbut-2-en-1-amine;5-methoxy-1,2,3,4-tetrahydronaphthalene (CID 143731068) is ethene;(E)-2-ethenylbut-2-en-1-amine;5-methoxy-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for ethene;(E)-2-ethenylbut-2-en-1-amine;5-methoxy-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for ethene;(E)-2-ethenylbut-2-en-1-amine;5-methoxy-1,2,3,4-tetrahydronaphthalene is C=C.C=C/C(=C\C)CN.COc1cccc2c1CCCC2.
What is the InChIKey of ethene;(E)-2-ethenylbut-2-en-1-amine;5-methoxy-1,2,3,4-tetrahydronaphthalene?
The InChIKey is FFXFCARXMPKEPU-HWWUXOKASA-N. The full InChI is InChI=1S/C11H14O.C6H11N.C2H4/c1-12-11-8-4-6-9-5-2-3-7-10(9)11;1-3-6(4-2)5-7;1-2/h4,6,8H,2-3,5,7H2,1H3;3-4H,1,5,7H2,2H3;1-2H2/b;6-4+;.
What are the key properties of ethene;(E)-2-ethenylbut-2-en-1-amine;5-methoxy-1,2,3,4-tetrahydronaphthalene?
ethene;(E)-2-ethenylbut-2-en-1-amine;5-methoxy-1,2,3,4-tetrahydronaphthalene has a molecular weight of 287.45 g/mol, XLogP of 4.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethene;(E)-2-ethenylbut-2-en-1-amine;5-methoxy-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 143731068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).