N-(2-ethylhexyl)cyclohexanimine

C14H27N — CID 56631454

IUPACN-(2-ethylhexyl)cyclohexanimine
SMILESCCCCC(CC)CN=C1CCCCC1
InChIInChI=1S/C14H27N/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14/h13H,3-12H2,1-2H3
InChIKeyLBSPMBXLEWNTKA-UHFFFAOYSA-N
MW209.38 g/mol
LogP4.61
Rot. Bonds6

About N-(2-ethylhexyl)cyclohexanimine

N-(2-ethylhexyl)cyclohexanimine (PubChem CID 56631454) has the molecular formula C14H27N and a molecular weight of 209.38 g/mol. Its IUPAC name is N-(2-ethylhexyl)cyclohexanimine.

Molecular Properties

Compound NameN-(2-ethylhexyl)cyclohexanimine
PubChem CID56631454
Molecular FormulaC14H27N
Molecular Weight209.38 g/mol
Exact Mass209.21
IUPAC NameN-(2-ethylhexyl)cyclohexanimine
SMILESCCCCC(CC)CN=C1CCCCC1
InChIInChI=1S/C14H27N/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14/h13H,3-12H2,1-2H3
InChIKeyLBSPMBXLEWNTKA-UHFFFAOYSA-N
XLogP4.61
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.38
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethylhexyl)cyclohexanimine?
The IUPAC name of N-(2-ethylhexyl)cyclohexanimine (CID 56631454) is N-(2-ethylhexyl)cyclohexanimine.
What is the SMILES notation for N-(2-ethylhexyl)cyclohexanimine?
The canonical SMILES for N-(2-ethylhexyl)cyclohexanimine is CCCCC(CC)CN=C1CCCCC1.
What is the InChIKey of N-(2-ethylhexyl)cyclohexanimine?
The InChIKey is LBSPMBXLEWNTKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N/c1-3-5-9-13(4-2)12-15-14-10-7-6-8-11-14/h13H,3-12H2,1-2H3.
What are the key properties of N-(2-ethylhexyl)cyclohexanimine?
N-(2-ethylhexyl)cyclohexanimine has a molecular weight of 209.38 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethylhexyl)cyclohexanimine is sourced from PubChem (CID 56631454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).