N-phenyloctan-2-imine

C14H21N — CID 12678979

IUPACN-phenyloctan-2-imine
SMILESCCCCCC/C(C)=N/c1ccccc1
InChIInChI=1S/C14H21N/c1-3-4-5-7-10-13(2)15-14-11-8-6-9-12-14/h6,8-9,11-12H,3-5,7,10H2,1-2H3/b15-13+
InChIKeyTUDBHZZQZNQGKS-FYWRMAATSA-N
MW203.33 g/mol
LogP4.75
Rot. Bonds6

About N-phenyloctan-2-imine

N-phenyloctan-2-imine (PubChem CID 12678979) has the molecular formula C14H21N and a molecular weight of 203.33 g/mol. Its IUPAC name is N-phenyloctan-2-imine.

Molecular Properties

Compound NameN-phenyloctan-2-imine
PubChem CID12678979
Molecular FormulaC14H21N
Molecular Weight203.33 g/mol
Exact Mass203.17
IUPAC NameN-phenyloctan-2-imine
SMILESCCCCCC/C(C)=N/c1ccccc1
InChIInChI=1S/C14H21N/c1-3-4-5-7-10-13(2)15-14-11-8-6-9-12-14/h6,8-9,11-12H,3-5,7,10H2,1-2H3/b15-13+
InChIKeyTUDBHZZQZNQGKS-FYWRMAATSA-N
XLogP4.75
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 N-phenyloctan-2-imine?
The IUPAC name of N-phenyloctan-2-imine (CID 12678979) is N-phenyloctan-2-imine.
What is the SMILES notation for N-phenyloctan-2-imine?
The canonical SMILES for N-phenyloctan-2-imine is CCCCCC/C(C)=N/c1ccccc1.
What is the InChIKey of N-phenyloctan-2-imine?
The InChIKey is TUDBHZZQZNQGKS-FYWRMAATSA-N. The full InChI is InChI=1S/C14H21N/c1-3-4-5-7-10-13(2)15-14-11-8-6-9-12-14/h6,8-9,11-12H,3-5,7,10H2,1-2H3/b15-13+.
What are the key properties of N-phenyloctan-2-imine?
N-phenyloctan-2-imine has a molecular weight of 203.33 g/mol, XLogP of 4.75, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-phenyloctan-2-imine is sourced from PubChem (CID 12678979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).