N-cyclohexylundecan-6-imine

C17H33N — CID 21412223

IUPACN-cyclohexylundecan-6-imine
SMILESCCCCCC(CCCCC)=NC1CCCCC1
InChIInChI=1S/C17H33N/c1-3-5-8-12-16(13-9-6-4-2)18-17-14-10-7-11-15-17/h17H,3-15H2,1-2H3
InChIKeyULDXXZILKWOCCA-UHFFFAOYSA-N
MW251.46 g/mol
LogP5.92
Rot. Bonds9

About N-cyclohexylundecan-6-imine

N-cyclohexylundecan-6-imine (PubChem CID 21412223) has the molecular formula C17H33N and a molecular weight of 251.46 g/mol. Its IUPAC name is N-cyclohexylundecan-6-imine.

Molecular Properties

Compound NameN-cyclohexylundecan-6-imine
PubChem CID21412223
Molecular FormulaC17H33N
Molecular Weight251.46 g/mol
Exact Mass251.26
IUPAC NameN-cyclohexylundecan-6-imine
SMILESCCCCCC(CCCCC)=NC1CCCCC1
InChIInChI=1S/C17H33N/c1-3-5-8-12-16(13-9-6-4-2)18-17-14-10-7-11-15-17/h17H,3-15H2,1-2H3
InChIKeyULDXXZILKWOCCA-UHFFFAOYSA-N
XLogP5.92
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500251.46
LogP ≤ 55.92
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-cyclohexylundecan-6-imine?
The IUPAC name of N-cyclohexylundecan-6-imine (CID 21412223) is N-cyclohexylundecan-6-imine.
What is the SMILES notation for N-cyclohexylundecan-6-imine?
The canonical SMILES for N-cyclohexylundecan-6-imine is CCCCCC(CCCCC)=NC1CCCCC1.
What is the InChIKey of N-cyclohexylundecan-6-imine?
The InChIKey is ULDXXZILKWOCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N/c1-3-5-8-12-16(13-9-6-4-2)18-17-14-10-7-11-15-17/h17H,3-15H2,1-2H3.
What are the key properties of N-cyclohexylundecan-6-imine?
N-cyclohexylundecan-6-imine has a molecular weight of 251.46 g/mol, XLogP of 5.92, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylundecan-6-imine is sourced from PubChem (CID 21412223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).