6-cyclohex-3-en-1-yloxyhexan-1-amine

C12H23NO — CID 89197341

IUPAC6-cyclohex-3-en-1-yloxyhexan-1-amine
SMILESNCCCCCCOC1CC=CCC1
InChIInChI=1S/C12H23NO/c13-10-6-1-2-7-11-14-12-8-4-3-5-9-12/h3-4,12H,1-2,5-11,13H2
InChIKeyRRNVWKVWMSSLRF-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.63
Rot. Bonds7

About 6-cyclohex-3-en-1-yloxyhexan-1-amine

6-cyclohex-3-en-1-yloxyhexan-1-amine (PubChem CID 89197341) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 6-cyclohex-3-en-1-yloxyhexan-1-amine.

Molecular Properties

Compound Name6-cyclohex-3-en-1-yloxyhexan-1-amine
PubChem CID89197341
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name6-cyclohex-3-en-1-yloxyhexan-1-amine
SMILESNCCCCCCOC1CC=CCC1
InChIInChI=1S/C12H23NO/c13-10-6-1-2-7-11-14-12-8-4-3-5-9-12/h3-4,12H,1-2,5-11,13H2
InChIKeyRRNVWKVWMSSLRF-UHFFFAOYSA-N
XLogP2.63
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohex-3-en-1-yloxyhexan-1-amine?
The IUPAC name of 6-cyclohex-3-en-1-yloxyhexan-1-amine (CID 89197341) is 6-cyclohex-3-en-1-yloxyhexan-1-amine.
What is the SMILES notation for 6-cyclohex-3-en-1-yloxyhexan-1-amine?
The canonical SMILES for 6-cyclohex-3-en-1-yloxyhexan-1-amine is NCCCCCCOC1CC=CCC1.
What is the InChIKey of 6-cyclohex-3-en-1-yloxyhexan-1-amine?
The InChIKey is RRNVWKVWMSSLRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c13-10-6-1-2-7-11-14-12-8-4-3-5-9-12/h3-4,12H,1-2,5-11,13H2.
What are the key properties of 6-cyclohex-3-en-1-yloxyhexan-1-amine?
6-cyclohex-3-en-1-yloxyhexan-1-amine has a molecular weight of 197.32 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohex-3-en-1-yloxyhexan-1-amine is sourced from PubChem (CID 89197341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).