N-decyl-1-phenylmethanimine

C17H27N — CID 525554

IUPACN-decyl-1-phenylmethanimine
SMILESCCCCCCCCCC/N=C/c1ccccc1
InChIInChI=1S/C17H27N/c1-2-3-4-5-6-7-8-12-15-18-16-17-13-10-9-11-14-17/h9-11,13-14,16H,2-8,12,15H2,1H3/b18-16+
InChIKeyTXEKAVCIGITHNC-FBMGVBCBSA-N
MW245.41 g/mol
LogP5.25
Rot. Bonds10

About N-decyl-1-phenylmethanimine

N-decyl-1-phenylmethanimine (PubChem CID 525554) has the molecular formula C17H27N and a molecular weight of 245.41 g/mol. Its IUPAC name is N-decyl-1-phenylmethanimine.

Molecular Properties

Compound NameN-decyl-1-phenylmethanimine
PubChem CID525554
Molecular FormulaC17H27N
Molecular Weight245.41 g/mol
Exact Mass245.21
IUPAC NameN-decyl-1-phenylmethanimine
SMILESCCCCCCCCCC/N=C/c1ccccc1
InChIInChI=1S/C17H27N/c1-2-3-4-5-6-7-8-12-15-18-16-17-13-10-9-11-14-17/h9-11,13-14,16H,2-8,12,15H2,1H3/b18-16+
InChIKeyTXEKAVCIGITHNC-FBMGVBCBSA-N
XLogP5.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500245.41
LogP ≤ 55.25
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-decyl-1-phenylmethanimine?
The IUPAC name of N-decyl-1-phenylmethanimine (CID 525554) is N-decyl-1-phenylmethanimine.
What is the SMILES notation for N-decyl-1-phenylmethanimine?
The canonical SMILES for N-decyl-1-phenylmethanimine is CCCCCCCCCC/N=C/c1ccccc1.
What is the InChIKey of N-decyl-1-phenylmethanimine?
The InChIKey is TXEKAVCIGITHNC-FBMGVBCBSA-N. The full InChI is InChI=1S/C17H27N/c1-2-3-4-5-6-7-8-12-15-18-16-17-13-10-9-11-14-17/h9-11,13-14,16H,2-8,12,15H2,1H3/b18-16+.
What are the key properties of N-decyl-1-phenylmethanimine?
N-decyl-1-phenylmethanimine has a molecular weight of 245.41 g/mol, XLogP of 5.25, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-decyl-1-phenylmethanimine is sourced from PubChem (CID 525554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).