N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]ethanamine

C13H23NO — CID 79368816

IUPACN-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]ethanamine
SMILESCCNCC1CCOC1C1CC=CCC1
InChIInChI=1S/C13H23NO/c1-2-14-10-12-8-9-15-13(12)11-6-4-3-5-7-11/h3-4,11-14H,2,5-10H2,1H3
InChIKeyHNUVEYAQWXFRKA-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.36
Rot. Bonds4

About N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]ethanamine

N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]ethanamine (PubChem CID 79368816) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]ethanamine
PubChem CID79368816
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC NameN-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]ethanamine
SMILESCCNCC1CCOC1C1CC=CCC1
InChIInChI=1S/C13H23NO/c1-2-14-10-12-8-9-15-13(12)11-6-4-3-5-7-11/h3-4,11-14H,2,5-10H2,1H3
InChIKeyHNUVEYAQWXFRKA-UHFFFAOYSA-N
XLogP2.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]ethanamine?
The IUPAC name of N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]ethanamine (CID 79368816) is N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]ethanamine.
What is the SMILES notation for N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]ethanamine?
The canonical SMILES for N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]ethanamine is CCNCC1CCOC1C1CC=CCC1.
What is the InChIKey of N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]ethanamine?
The InChIKey is HNUVEYAQWXFRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-14-10-12-8-9-15-13(12)11-6-4-3-5-7-11/h3-4,11-14H,2,5-10H2,1H3.
What are the key properties of N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]ethanamine?
N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]ethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-cyclohex-3-en-1-yloxolan-3-yl)methyl]ethanamine is sourced from PubChem (CID 79368816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).