N-cyclohexyl-6-hexylidenecyclohex-2-en-1-imine

C18H29N — CID 123533422

IUPACN-cyclohexyl-6-hexylidenecyclohex-2-en-1-imine
SMILESCCCCCC=C1CCC=C/C1=N\C1CCCCC1
InChIInChI=1S/C18H29N/c1-2-3-4-6-11-16-12-9-10-15-18(16)19-17-13-7-5-8-14-17/h10-11,15,17H,2-9,12-14H2,1H3/b16-11?,19-18+
InChIKeyNSYUZXZVQFBEGB-YHRYSXBSSA-N
MW259.44 g/mol
LogP5.62
Rot. Bonds5

About N-cyclohexyl-6-hexylidenecyclohex-2-en-1-imine

N-cyclohexyl-6-hexylidenecyclohex-2-en-1-imine (PubChem CID 123533422) has the molecular formula C18H29N and a molecular weight of 259.44 g/mol. Its IUPAC name is N-cyclohexyl-6-hexylidenecyclohex-2-en-1-imine.

Molecular Properties

Compound NameN-cyclohexyl-6-hexylidenecyclohex-2-en-1-imine
PubChem CID123533422
Molecular FormulaC18H29N
Molecular Weight259.44 g/mol
Exact Mass259.23
IUPAC NameN-cyclohexyl-6-hexylidenecyclohex-2-en-1-imine
SMILESCCCCCC=C1CCC=C/C1=N\C1CCCCC1
InChIInChI=1S/C18H29N/c1-2-3-4-6-11-16-12-9-10-15-18(16)19-17-13-7-5-8-14-17/h10-11,15,17H,2-9,12-14H2,1H3/b16-11?,19-18+
InChIKeyNSYUZXZVQFBEGB-YHRYSXBSSA-N
XLogP5.62
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.44
LogP ≤ 55.62
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-cyclohexyl-6-hexylidenecyclohex-2-en-1-imine?
The IUPAC name of N-cyclohexyl-6-hexylidenecyclohex-2-en-1-imine (CID 123533422) is N-cyclohexyl-6-hexylidenecyclohex-2-en-1-imine.
What is the SMILES notation for N-cyclohexyl-6-hexylidenecyclohex-2-en-1-imine?
The canonical SMILES for N-cyclohexyl-6-hexylidenecyclohex-2-en-1-imine is CCCCCC=C1CCC=C/C1=N\C1CCCCC1.
What is the InChIKey of N-cyclohexyl-6-hexylidenecyclohex-2-en-1-imine?
The InChIKey is NSYUZXZVQFBEGB-YHRYSXBSSA-N. The full InChI is InChI=1S/C18H29N/c1-2-3-4-6-11-16-12-9-10-15-18(16)19-17-13-7-5-8-14-17/h10-11,15,17H,2-9,12-14H2,1H3/b16-11?,19-18+.
What are the key properties of N-cyclohexyl-6-hexylidenecyclohex-2-en-1-imine?
N-cyclohexyl-6-hexylidenecyclohex-2-en-1-imine has a molecular weight of 259.44 g/mol, XLogP of 5.62, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-hexylidenecyclohex-2-en-1-imine is sourced from PubChem (CID 123533422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).