2-(cyclohexen-1-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine

C14H25NO — CID 82834872

IUPAC2-(cyclohexen-1-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCC1CCC(CNCCC2=CCCCC2)O1
InChIInChI=1S/C14H25NO/c1-12-7-8-14(16-12)11-15-10-9-13-5-3-2-4-6-13/h5,12,14-15H,2-4,6-11H2,1H3
InChIKeyXOQRXRDMFLYJRM-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.03
Rot. Bonds5

About 2-(cyclohexen-1-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine

2-(cyclohexen-1-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine (PubChem CID 82834872) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
PubChem CID82834872
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name2-(cyclohexen-1-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine
SMILESCC1CCC(CNCCC2=CCCCC2)O1
InChIInChI=1S/C14H25NO/c1-12-7-8-14(16-12)11-15-10-9-13-5-3-2-4-6-13/h5,12,14-15H,2-4,6-11H2,1H3
InChIKeyXOQRXRDMFLYJRM-UHFFFAOYSA-N
XLogP3.03
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.03
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-[(5-methyloxolan-2-yl)methyl]ethanamine?
The IUPAC name of 2-(cyclohexen-1-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine (CID 82834872) is 2-(cyclohexen-1-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine is CC1CCC(CNCCC2=CCCCC2)O1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
The InChIKey is XOQRXRDMFLYJRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-12-7-8-14(16-12)11-15-10-9-13-5-3-2-4-6-13/h5,12,14-15H,2-4,6-11H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine?
2-(cyclohexen-1-yl)-N-[(5-methyloxolan-2-yl)methyl]ethanamine has a molecular weight of 223.36 g/mol, XLogP of 3.03, 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-[(5-methyloxolan-2-yl)methyl]ethanamine is sourced from PubChem (CID 82834872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).