N-hexylcyclohex-2-en-1-imine oxide

C12H21NO — CID 44519933

IUPACN-hexylcyclohex-2-en-1-imine oxide
SMILESCCCCCC/[N+]([O-])=C1\C=CCCC1
InChIInChI=1S/C12H21NO/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h6,9H,2-5,7-8,10-11H2,1H3/b13-12-
InChIKeyYORATVCDYFSZSH-SEYXRHQNSA-N
MW195.31 g/mol
LogP3.26
Rot. Bonds5

About N-hexylcyclohex-2-en-1-imine oxide

N-hexylcyclohex-2-en-1-imine oxide (PubChem CID 44519933) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-hexylcyclohex-2-en-1-imine oxide.

Molecular Properties

Compound NameN-hexylcyclohex-2-en-1-imine oxide
PubChem CID44519933
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-hexylcyclohex-2-en-1-imine oxide
SMILESCCCCCC/[N+]([O-])=C1\C=CCCC1
InChIInChI=1S/C12H21NO/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h6,9H,2-5,7-8,10-11H2,1H3/b13-12-
InChIKeyYORATVCDYFSZSH-SEYXRHQNSA-N
XLogP3.26
TPSA26.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.26
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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CID 442650
Nigrifactin
CID 5281688
2-(1-Propenyl)-delta1-piperideine
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6-[(E)-prop-1-enyl]-2,3,4,5-tetrahydropyridine
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6-Prop-1-enyl-2,3,4,5-tetrahydropyridine
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Koreenceine A
CID 146683591
2-(3-Butenyl)-6-methyl-2,3,4,5-tetrahydropyridine 1-oxide
CID 14808042
N-cyclohexylhex-5-en-2-imine oxide
CID 44519936
N-cyclohexylcyclohex-2-en-1-imine oxide
CID 44520122
2-Allyl-6-pentyl-2,3,4,5-tetrahydropyridine 1-oxide
CID 129798451
N-cyclohexyl-4-methylpent-3-en-2-imine oxide
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Frequently Asked Questions

What is the IUPAC name of N-hexylcyclohex-2-en-1-imine oxide?
The IUPAC name of N-hexylcyclohex-2-en-1-imine oxide (CID 44519933) is N-hexylcyclohex-2-en-1-imine oxide.
What is the SMILES notation for N-hexylcyclohex-2-en-1-imine oxide?
The canonical SMILES for N-hexylcyclohex-2-en-1-imine oxide is CCCCCC/[N+]([O-])=C1\C=CCCC1.
What is the InChIKey of N-hexylcyclohex-2-en-1-imine oxide?
The InChIKey is YORATVCDYFSZSH-SEYXRHQNSA-N. The full InChI is InChI=1S/C12H21NO/c1-2-3-4-8-11-13(14)12-9-6-5-7-10-12/h6,9H,2-5,7-8,10-11H2,1H3/b13-12-.
What are the key properties of N-hexylcyclohex-2-en-1-imine oxide?
N-hexylcyclohex-2-en-1-imine oxide has a molecular weight of 195.31 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexylcyclohex-2-en-1-imine oxide is sourced from PubChem (CID 44519933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).