2-[6-(2-iminocyclohexyl)hexyl]cyclohexan-1-imine

C18H32N2 — CID 22150722

IUPAC2-[6-(2-iminocyclohexyl)hexyl]cyclohexan-1-imine
SMILES[H]/N=C1\CCCCC1CCCCCCC1CCCC/C1=N\[H]
InChIInChI=1S/C18H32N2/c19-17-13-7-5-11-15(17)9-3-1-2-4-10-16-12-6-8-14-18(16)20/h15-16,19-20H,1-14H2/b19-17+,20-18+
InChIKeyXLKFUAYKXXSSRM-XPWSMXQVSA-N
MW276.47 g/mol
LogP5.75
Rot. Bonds7

About 2-[6-(2-iminocyclohexyl)hexyl]cyclohexan-1-imine

2-[6-(2-iminocyclohexyl)hexyl]cyclohexan-1-imine (PubChem CID 22150722) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is 2-[6-(2-iminocyclohexyl)hexyl]cyclohexan-1-imine.

Molecular Properties

Compound Name2-[6-(2-iminocyclohexyl)hexyl]cyclohexan-1-imine
PubChem CID22150722
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC Name2-[6-(2-iminocyclohexyl)hexyl]cyclohexan-1-imine
SMILES[H]/N=C1\CCCCC1CCCCCCC1CCCC/C1=N\[H]
InChIInChI=1S/C18H32N2/c19-17-13-7-5-11-15(17)9-3-1-2-4-10-16-12-6-8-14-18(16)20/h15-16,19-20H,1-14H2/b19-17+,20-18+
InChIKeyXLKFUAYKXXSSRM-XPWSMXQVSA-N
XLogP5.75
TPSA47.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.47
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 2-[6-(2-iminocyclohexyl)hexyl]cyclohexan-1-imine?
The IUPAC name of 2-[6-(2-iminocyclohexyl)hexyl]cyclohexan-1-imine (CID 22150722) is 2-[6-(2-iminocyclohexyl)hexyl]cyclohexan-1-imine.
What is the SMILES notation for 2-[6-(2-iminocyclohexyl)hexyl]cyclohexan-1-imine?
The canonical SMILES for 2-[6-(2-iminocyclohexyl)hexyl]cyclohexan-1-imine is [H]/N=C1\CCCCC1CCCCCCC1CCCC/C1=N\[H].
What is the InChIKey of 2-[6-(2-iminocyclohexyl)hexyl]cyclohexan-1-imine?
The InChIKey is XLKFUAYKXXSSRM-XPWSMXQVSA-N. The full InChI is InChI=1S/C18H32N2/c19-17-13-7-5-11-15(17)9-3-1-2-4-10-16-12-6-8-14-18(16)20/h15-16,19-20H,1-14H2/b19-17+,20-18+.
What are the key properties of 2-[6-(2-iminocyclohexyl)hexyl]cyclohexan-1-imine?
2-[6-(2-iminocyclohexyl)hexyl]cyclohexan-1-imine has a molecular weight of 276.47 g/mol, XLogP of 5.75, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-iminocyclohexyl)hexyl]cyclohexan-1-imine is sourced from PubChem (CID 22150722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).