N-cyclohexylpentacosan-10-imine

C31H61N — CID 21412175

IUPACN-cyclohexylpentacosan-10-imine
SMILESCCCCCCCCCCCCCCC/C(CCCCCCCCC)=N/C1CCCCC1
InChIInChI=1S/C31H61N/c1-3-5-7-9-11-12-13-14-15-16-18-20-23-27-30(32-31-28-24-21-25-29-31)26-22-19-17-10-8-6-4-2/h31H,3-29H2,1-2H3/b32-30+
InChIKeyWNUHHUDGKORLDS-NHQGMKOOSA-N
MW447.84 g/mol
LogP11.38
Rot. Bonds23

About N-cyclohexylpentacosan-10-imine

N-cyclohexylpentacosan-10-imine (PubChem CID 21412175) has the molecular formula C31H61N and a molecular weight of 447.84 g/mol. Its IUPAC name is N-cyclohexylpentacosan-10-imine.

Molecular Properties

Compound NameN-cyclohexylpentacosan-10-imine
PubChem CID21412175
Molecular FormulaC31H61N
Molecular Weight447.84 g/mol
Exact Mass447.48
IUPAC NameN-cyclohexylpentacosan-10-imine
SMILESCCCCCCCCCCCCCCC/C(CCCCCCCCC)=N/C1CCCCC1
InChIInChI=1S/C31H61N/c1-3-5-7-9-11-12-13-14-15-16-18-20-23-27-30(32-31-28-24-21-25-29-31)26-22-19-17-10-8-6-4-2/h31H,3-29H2,1-2H3/b32-30+
InChIKeyWNUHHUDGKORLDS-NHQGMKOOSA-N
XLogP11.38
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds23
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.84
LogP ≤ 511.38
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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Related Compounds

2,3,4,5-Tetrahydro-6-propylpyridine
CID 442632
2-Methyl-6-pentadecyl-2,3,4,5-tetrahydropyridine
CID 70698157
2-Butyl-3,4,5,6-tetrahydropyridine
CID 566327
Koreenceine B
CID 137957808
N-Cyclohexyl acetonimine
CID 138744
6-Methyl-2-undecyl-2,3,4,5-tetrahydropyridine
CID 182226
Cyclohexanamine, N-(1-ethylpropylidene)-
CID 80209
6-Hexadecyl-2,3,4,5-tetrahydropyridine
CID 54669809
6-Heptadecyl-2,3,4,5-tetrahydropyridine
CID 54669810
6-Dodecyl-2,3,4,5-tetrahydropyridine
CID 54672244
6-Tridecyl-2,3,4,5-tetrahydropyridine
CID 54672245
6-Tetradecyl-2,3,4,5-tetrahydropyridine
CID 54672246

Frequently Asked Questions

What is the IUPAC name of N-cyclohexylpentacosan-10-imine?
The IUPAC name of N-cyclohexylpentacosan-10-imine (CID 21412175) is N-cyclohexylpentacosan-10-imine.
What is the SMILES notation for N-cyclohexylpentacosan-10-imine?
The canonical SMILES for N-cyclohexylpentacosan-10-imine is CCCCCCCCCCCCCCC/C(CCCCCCCCC)=N/C1CCCCC1.
What is the InChIKey of N-cyclohexylpentacosan-10-imine?
The InChIKey is WNUHHUDGKORLDS-NHQGMKOOSA-N. The full InChI is InChI=1S/C31H61N/c1-3-5-7-9-11-12-13-14-15-16-18-20-23-27-30(32-31-28-24-21-25-29-31)26-22-19-17-10-8-6-4-2/h31H,3-29H2,1-2H3/b32-30+.
What are the key properties of N-cyclohexylpentacosan-10-imine?
N-cyclohexylpentacosan-10-imine has a molecular weight of 447.84 g/mol, XLogP of 11.38, 23 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexylpentacosan-10-imine is sourced from PubChem (CID 21412175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).