1-cyclohexyl-N,2-diethylhexan-1-imine

C16H31N — CID 143444517

IUPAC1-cyclohexyl-N,2-diethylhexan-1-imine
SMILESCCCCC(CC)/C(=N\CC)C1CCCCC1
InChIInChI=1S/C16H31N/c1-4-7-11-14(5-2)16(17-6-3)15-12-9-8-10-13-15/h14-15H,4-13H2,1-3H3/b17-16+
InChIKeyKJOIWBFBLDRXKJ-WUKNDPDISA-N
MW237.43 g/mol
LogP5.24
Rot. Bonds7

About 1-cyclohexyl-N,2-diethylhexan-1-imine

1-cyclohexyl-N,2-diethylhexan-1-imine (PubChem CID 143444517) has the molecular formula C16H31N and a molecular weight of 237.43 g/mol. Its IUPAC name is 1-cyclohexyl-N,2-diethylhexan-1-imine.

Molecular Properties

Compound Name1-cyclohexyl-N,2-diethylhexan-1-imine
PubChem CID143444517
Molecular FormulaC16H31N
Molecular Weight237.43 g/mol
Exact Mass237.25
IUPAC Name1-cyclohexyl-N,2-diethylhexan-1-imine
SMILESCCCCC(CC)/C(=N\CC)C1CCCCC1
InChIInChI=1S/C16H31N/c1-4-7-11-14(5-2)16(17-6-3)15-12-9-8-10-13-15/h14-15H,4-13H2,1-3H3/b17-16+
InChIKeyKJOIWBFBLDRXKJ-WUKNDPDISA-N
XLogP5.24
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500237.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 90905746
N-cyclooctyl-2-ethylhexanamide
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1-cycloheptyloxy-3-ethylheptan-2-one
CID 134575358
N-cyclopentyl-2-ethylhexanamide
CID 4146053
cyclohexane;2-ethylhexanoic acid;nickel
CID 174366727
1-cyclopropyl-2-ethyloctan-1-one
CID 175800062
2-(cyclopentylmethyl)-N-methylhexanamide
CID 70921101
1-dicyclohexyloxyphosphoryl-2-ethylhexan-1-one
CID 23002045
N-hexan-2-ylcyclohexanecarboxamide
CID 174494551
1-cyclopentyl-4-ethyloctan-2-amine
CID 115806470
(E)-4-cyclohexyl-N-ethylpent-3-en-2-imine
CID 142125943
1,1-dicyclohexyl-2-(2-ethylhexyl)guanidine
CID 19826639

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-N,2-diethylhexan-1-imine?
The IUPAC name of 1-cyclohexyl-N,2-diethylhexan-1-imine (CID 143444517) is 1-cyclohexyl-N,2-diethylhexan-1-imine.
What is the SMILES notation for 1-cyclohexyl-N,2-diethylhexan-1-imine?
The canonical SMILES for 1-cyclohexyl-N,2-diethylhexan-1-imine is CCCCC(CC)/C(=N\CC)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N,2-diethylhexan-1-imine?
The InChIKey is KJOIWBFBLDRXKJ-WUKNDPDISA-N. The full InChI is InChI=1S/C16H31N/c1-4-7-11-14(5-2)16(17-6-3)15-12-9-8-10-13-15/h14-15H,4-13H2,1-3H3/b17-16+.
What are the key properties of 1-cyclohexyl-N,2-diethylhexan-1-imine?
1-cyclohexyl-N,2-diethylhexan-1-imine has a molecular weight of 237.43 g/mol, XLogP of 5.24, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N,2-diethylhexan-1-imine is sourced from PubChem (CID 143444517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).