2-(hex-1-en-2-yloxymethyl)cyclohex-3-en-1-amine

C13H23NO — CID 166688985

IUPAC2-(hex-1-en-2-yloxymethyl)cyclohex-3-en-1-amine
SMILESC=C(CCCC)OCC1C=CCCC1N
InChIInChI=1S/C13H23NO/c1-3-4-7-11(2)15-10-12-8-5-6-9-13(12)14/h5,8,12-13H,2-4,6-7,9-10,14H2,1H3
InChIKeyYEKMXUBGXOMHNP-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.00
Rot. Bonds6

About 2-(hex-1-en-2-yloxymethyl)cyclohex-3-en-1-amine

2-(hex-1-en-2-yloxymethyl)cyclohex-3-en-1-amine (PubChem CID 166688985) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(hex-1-en-2-yloxymethyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name2-(hex-1-en-2-yloxymethyl)cyclohex-3-en-1-amine
PubChem CID166688985
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(hex-1-en-2-yloxymethyl)cyclohex-3-en-1-amine
SMILESC=C(CCCC)OCC1C=CCCC1N
InChIInChI=1S/C13H23NO/c1-3-4-7-11(2)15-10-12-8-5-6-9-13(12)14/h5,8,12-13H,2-4,6-7,9-10,14H2,1H3
InChIKeyYEKMXUBGXOMHNP-UHFFFAOYSA-N
XLogP3.00
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(hex-1-en-2-yloxymethyl)cyclohex-3-en-1-amine?
The IUPAC name of 2-(hex-1-en-2-yloxymethyl)cyclohex-3-en-1-amine (CID 166688985) is 2-(hex-1-en-2-yloxymethyl)cyclohex-3-en-1-amine.
What is the SMILES notation for 2-(hex-1-en-2-yloxymethyl)cyclohex-3-en-1-amine?
The canonical SMILES for 2-(hex-1-en-2-yloxymethyl)cyclohex-3-en-1-amine is C=C(CCCC)OCC1C=CCCC1N.
What is the InChIKey of 2-(hex-1-en-2-yloxymethyl)cyclohex-3-en-1-amine?
The InChIKey is YEKMXUBGXOMHNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-4-7-11(2)15-10-12-8-5-6-9-13(12)14/h5,8,12-13H,2-4,6-7,9-10,14H2,1H3.
What are the key properties of 2-(hex-1-en-2-yloxymethyl)cyclohex-3-en-1-amine?
2-(hex-1-en-2-yloxymethyl)cyclohex-3-en-1-amine has a molecular weight of 209.33 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hex-1-en-2-yloxymethyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 166688985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).