2-(N-heptyl-C-methylcarbonimidoyl)phenol

C15H23NO — CID 2731450

IUPAC2-(N-heptyl-C-methylcarbonimidoyl)phenol
SMILESCCCCCCC/N=C(\C)c1ccccc1O
InChIInChI=1S/C15H23NO/c1-3-4-5-6-9-12-16-13(2)14-10-7-8-11-15(14)17/h7-8,10-11,17H,3-6,9,12H2,1-2H3/b16-13+
InChIKeyKWCMZQHAOYTQIW-DTQAZKPQSA-N
MW233.36 g/mol
LogP4.17
Rot. Bonds7

About 2-(N-heptyl-C-methylcarbonimidoyl)phenol

2-(N-heptyl-C-methylcarbonimidoyl)phenol (PubChem CID 2731450) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 2-(N-heptyl-C-methylcarbonimidoyl)phenol.

Molecular Properties

Compound Name2-(N-heptyl-C-methylcarbonimidoyl)phenol
PubChem CID2731450
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name2-(N-heptyl-C-methylcarbonimidoyl)phenol
SMILESCCCCCCC/N=C(\C)c1ccccc1O
InChIInChI=1S/C15H23NO/c1-3-4-5-6-9-12-16-13(2)14-10-7-8-11-15(14)17/h7-8,10-11,17H,3-6,9,12H2,1-2H3/b16-13+
InChIKeyKWCMZQHAOYTQIW-DTQAZKPQSA-N
XLogP4.17
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 54.17
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(N-heptyl-C-methylcarbonimidoyl)phenol?
The IUPAC name of 2-(N-heptyl-C-methylcarbonimidoyl)phenol (CID 2731450) is 2-(N-heptyl-C-methylcarbonimidoyl)phenol.
What is the SMILES notation for 2-(N-heptyl-C-methylcarbonimidoyl)phenol?
The canonical SMILES for 2-(N-heptyl-C-methylcarbonimidoyl)phenol is CCCCCCC/N=C(\C)c1ccccc1O.
What is the InChIKey of 2-(N-heptyl-C-methylcarbonimidoyl)phenol?
The InChIKey is KWCMZQHAOYTQIW-DTQAZKPQSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-4-5-6-9-12-16-13(2)14-10-7-8-11-15(14)17/h7-8,10-11,17H,3-6,9,12H2,1-2H3/b16-13+.
What are the key properties of 2-(N-heptyl-C-methylcarbonimidoyl)phenol?
2-(N-heptyl-C-methylcarbonimidoyl)phenol has a molecular weight of 233.36 g/mol, XLogP of 4.17, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(N-heptyl-C-methylcarbonimidoyl)phenol is sourced from PubChem (CID 2731450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).