2-(cyclohexen-1-yl)-N-(oxolan-3-ylmethyl)ethanamine

C13H23NO — CID 43201769

IUPAC2-(cyclohexen-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESC1=C(CCNCC2CCOC2)CCCC1
InChIInChI=1S/C13H23NO/c1-2-4-12(5-3-1)6-8-14-10-13-7-9-15-11-13/h4,13-14H,1-3,5-11H2
InChIKeyNROZOSMEBSZGQV-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.50
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-(oxolan-3-ylmethyl)ethanamine

2-(cyclohexen-1-yl)-N-(oxolan-3-ylmethyl)ethanamine (PubChem CID 43201769) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-(oxolan-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
PubChem CID43201769
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-(cyclohexen-1-yl)-N-(oxolan-3-ylmethyl)ethanamine
SMILESC1=C(CCNCC2CCOC2)CCCC1
InChIInChI=1S/C13H23NO/c1-2-4-12(5-3-1)6-8-14-10-13-7-9-15-11-13/h4,13-14H,1-3,5-11H2
InChIKeyNROZOSMEBSZGQV-UHFFFAOYSA-N
XLogP2.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.50
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 2-(cyclohexen-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-(oxolan-3-ylmethyl)ethanamine (CID 43201769) is 2-(cyclohexen-1-yl)-N-(oxolan-3-ylmethyl)ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-(oxolan-3-ylmethyl)ethanamine is C1=C(CCNCC2CCOC2)CCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
The InChIKey is NROZOSMEBSZGQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-2-4-12(5-3-1)6-8-14-10-13-7-9-15-11-13/h4,13-14H,1-3,5-11H2.
What are the key properties of 2-(cyclohexen-1-yl)-N-(oxolan-3-ylmethyl)ethanamine?
2-(cyclohexen-1-yl)-N-(oxolan-3-ylmethyl)ethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-(oxolan-3-ylmethyl)ethanamine is sourced from PubChem (CID 43201769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).