4-[4-(methylamino)but-1-enyl]naphthalen-1-ol

C15H17NO — CID 170496452

IUPAC4-[4-(methylamino)but-1-enyl]naphthalen-1-ol
SMILESCNCCC=Cc1ccc(O)c2ccccc12
InChIInChI=1S/C15H17NO/c1-16-11-5-4-6-12-9-10-15(17)14-8-3-2-7-13(12)14/h2-4,6-10,16-17H,5,11H2,1H3
InChIKeyIVUHYVNQUWHXNU-UHFFFAOYSA-N
MW227.31 g/mol
LogP3.17
Rot. Bonds4

About 4-[4-(methylamino)but-1-enyl]naphthalen-1-ol

4-[4-(methylamino)but-1-enyl]naphthalen-1-ol (PubChem CID 170496452) has the molecular formula C15H17NO and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-[4-(methylamino)but-1-enyl]naphthalen-1-ol.

Molecular Properties

Compound Name4-[4-(methylamino)but-1-enyl]naphthalen-1-ol
PubChem CID170496452
Molecular FormulaC15H17NO
Molecular Weight227.31 g/mol
Exact Mass227.13
IUPAC Name4-[4-(methylamino)but-1-enyl]naphthalen-1-ol
SMILESCNCCC=Cc1ccc(O)c2ccccc12
InChIInChI=1S/C15H17NO/c1-16-11-5-4-6-12-9-10-15(17)14-8-3-2-7-13(12)14/h2-4,6-10,16-17H,5,11H2,1H3
InChIKeyIVUHYVNQUWHXNU-UHFFFAOYSA-N
XLogP3.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylamino)but-1-enyl]naphthalen-1-ol?
The IUPAC name of 4-[4-(methylamino)but-1-enyl]naphthalen-1-ol (CID 170496452) is 4-[4-(methylamino)but-1-enyl]naphthalen-1-ol.
What is the SMILES notation for 4-[4-(methylamino)but-1-enyl]naphthalen-1-ol?
The canonical SMILES for 4-[4-(methylamino)but-1-enyl]naphthalen-1-ol is CNCCC=Cc1ccc(O)c2ccccc12.
What is the InChIKey of 4-[4-(methylamino)but-1-enyl]naphthalen-1-ol?
The InChIKey is IVUHYVNQUWHXNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO/c1-16-11-5-4-6-12-9-10-15(17)14-8-3-2-7-13(12)14/h2-4,6-10,16-17H,5,11H2,1H3.
What are the key properties of 4-[4-(methylamino)but-1-enyl]naphthalen-1-ol?
4-[4-(methylamino)but-1-enyl]naphthalen-1-ol has a molecular weight of 227.31 g/mol, XLogP of 3.17, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylamino)but-1-enyl]naphthalen-1-ol is sourced from PubChem (CID 170496452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).