6-[(4-prop-2-enylphenyl)methylideneamino]hexan-1-ol

C16H23NO — CID 135375357

IUPAC6-[(4-prop-2-enylphenyl)methylideneamino]hexan-1-ol
SMILESC=CCc1ccc(/C=N/CCCCCCO)cc1
InChIInChI=1S/C16H23NO/c1-2-7-15-8-10-16(11-9-15)14-17-12-5-3-4-6-13-18/h2,8-11,14,18H,1,3-7,12-13H2/b17-14+
InChIKeyFNWKUXDCKXDFSB-SAPNQHFASA-N
MW245.37 g/mol
LogP3.39
Rot. Bonds9

About 6-[(4-prop-2-enylphenyl)methylideneamino]hexan-1-ol

6-[(4-prop-2-enylphenyl)methylideneamino]hexan-1-ol (PubChem CID 135375357) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 6-[(4-prop-2-enylphenyl)methylideneamino]hexan-1-ol.

Molecular Properties

Compound Name6-[(4-prop-2-enylphenyl)methylideneamino]hexan-1-ol
PubChem CID135375357
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name6-[(4-prop-2-enylphenyl)methylideneamino]hexan-1-ol
SMILESC=CCc1ccc(/C=N/CCCCCCO)cc1
InChIInChI=1S/C16H23NO/c1-2-7-15-8-10-16(11-9-15)14-17-12-5-3-4-6-13-18/h2,8-11,14,18H,1,3-7,12-13H2/b17-14+
InChIKeyFNWKUXDCKXDFSB-SAPNQHFASA-N
XLogP3.39
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[(4-prop-2-enylphenyl)methylideneamino]hexan-1-ol?
The IUPAC name of 6-[(4-prop-2-enylphenyl)methylideneamino]hexan-1-ol (CID 135375357) is 6-[(4-prop-2-enylphenyl)methylideneamino]hexan-1-ol.
What is the SMILES notation for 6-[(4-prop-2-enylphenyl)methylideneamino]hexan-1-ol?
The canonical SMILES for 6-[(4-prop-2-enylphenyl)methylideneamino]hexan-1-ol is C=CCc1ccc(/C=N/CCCCCCO)cc1.
What is the InChIKey of 6-[(4-prop-2-enylphenyl)methylideneamino]hexan-1-ol?
The InChIKey is FNWKUXDCKXDFSB-SAPNQHFASA-N. The full InChI is InChI=1S/C16H23NO/c1-2-7-15-8-10-16(11-9-15)14-17-12-5-3-4-6-13-18/h2,8-11,14,18H,1,3-7,12-13H2/b17-14+.
What are the key properties of 6-[(4-prop-2-enylphenyl)methylideneamino]hexan-1-ol?
6-[(4-prop-2-enylphenyl)methylideneamino]hexan-1-ol has a molecular weight of 245.37 g/mol, XLogP of 3.39, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-prop-2-enylphenyl)methylideneamino]hexan-1-ol is sourced from PubChem (CID 135375357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).