4-methylidene-5-(N,2,3-trimethylanilino)hex-5-en-2-ol

C16H23NO — CID 171540944

IUPAC4-methylidene-5-(N,2,3-trimethylanilino)hex-5-en-2-ol
SMILESC=C(CC(C)O)C(=C)N(C)c1cccc(C)c1C
InChIInChI=1S/C16H23NO/c1-11-8-7-9-16(14(11)4)17(6)15(5)12(2)10-13(3)18/h7-9,13,18H,2,5,10H2,1,3-4,6H3
InChIKeyHTZYWDHWIIZUBN-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.58
Rot. Bonds5

About 4-methylidene-5-(N,2,3-trimethylanilino)hex-5-en-2-ol

4-methylidene-5-(N,2,3-trimethylanilino)hex-5-en-2-ol (PubChem CID 171540944) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 4-methylidene-5-(N,2,3-trimethylanilino)hex-5-en-2-ol.

Molecular Properties

Compound Name4-methylidene-5-(N,2,3-trimethylanilino)hex-5-en-2-ol
PubChem CID171540944
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name4-methylidene-5-(N,2,3-trimethylanilino)hex-5-en-2-ol
SMILESC=C(CC(C)O)C(=C)N(C)c1cccc(C)c1C
InChIInChI=1S/C16H23NO/c1-11-8-7-9-16(14(11)4)17(6)15(5)12(2)10-13(3)18/h7-9,13,18H,2,5,10H2,1,3-4,6H3
InChIKeyHTZYWDHWIIZUBN-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methylidene-5-(N,2,3-trimethylanilino)hex-5-en-2-ol?
The IUPAC name of 4-methylidene-5-(N,2,3-trimethylanilino)hex-5-en-2-ol (CID 171540944) is 4-methylidene-5-(N,2,3-trimethylanilino)hex-5-en-2-ol.
What is the SMILES notation for 4-methylidene-5-(N,2,3-trimethylanilino)hex-5-en-2-ol?
The canonical SMILES for 4-methylidene-5-(N,2,3-trimethylanilino)hex-5-en-2-ol is C=C(CC(C)O)C(=C)N(C)c1cccc(C)c1C.
What is the InChIKey of 4-methylidene-5-(N,2,3-trimethylanilino)hex-5-en-2-ol?
The InChIKey is HTZYWDHWIIZUBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-11-8-7-9-16(14(11)4)17(6)15(5)12(2)10-13(3)18/h7-9,13,18H,2,5,10H2,1,3-4,6H3.
What are the key properties of 4-methylidene-5-(N,2,3-trimethylanilino)hex-5-en-2-ol?
4-methylidene-5-(N,2,3-trimethylanilino)hex-5-en-2-ol has a molecular weight of 245.37 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-5-(N,2,3-trimethylanilino)hex-5-en-2-ol is sourced from PubChem (CID 171540944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).