2-(cyclohexen-1-yl)-N-ethylethanamine;hydrochloride

C10H20ClN — CID 16956078

IUPAC2-(cyclohexen-1-yl)-N-ethylethanamine;hydrochloride
SMILESCCNCCC1=CCCCC1.Cl
InChIInChI=1S/C10H19N.ClH/c1-2-11-9-8-10-6-4-3-5-7-10;/h6,11H,2-5,7-9H2,1H3;1H
InChIKeyAOYMHIWHKBUUBO-UHFFFAOYSA-N
MW189.73 g/mol
LogP2.91
Rot. Bonds4

About 2-(cyclohexen-1-yl)-N-ethylethanamine;hydrochloride

2-(cyclohexen-1-yl)-N-ethylethanamine;hydrochloride (PubChem CID 16956078) has the molecular formula C10H20ClN and a molecular weight of 189.73 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-ethylethanamine;hydrochloride.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-ethylethanamine;hydrochloride
PubChem CID16956078
Molecular FormulaC10H20ClN
Molecular Weight189.73 g/mol
Exact Mass189.13
IUPAC Name2-(cyclohexen-1-yl)-N-ethylethanamine;hydrochloride
SMILESCCNCCC1=CCCCC1.Cl
InChIInChI=1S/C10H19N.ClH/c1-2-11-9-8-10-6-4-3-5-7-10;/h6,11H,2-5,7-9H2,1H3;1H
InChIKeyAOYMHIWHKBUUBO-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.73
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-ethylethanamine;hydrochloride?
The IUPAC name of 2-(cyclohexen-1-yl)-N-ethylethanamine;hydrochloride (CID 16956078) is 2-(cyclohexen-1-yl)-N-ethylethanamine;hydrochloride.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-ethylethanamine;hydrochloride?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-ethylethanamine;hydrochloride is CCNCCC1=CCCCC1.Cl.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-ethylethanamine;hydrochloride?
The InChIKey is AOYMHIWHKBUUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N.ClH/c1-2-11-9-8-10-6-4-3-5-7-10;/h6,11H,2-5,7-9H2,1H3;1H.
What are the key properties of 2-(cyclohexen-1-yl)-N-ethylethanamine;hydrochloride?
2-(cyclohexen-1-yl)-N-ethylethanamine;hydrochloride has a molecular weight of 189.73 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexen-1-yl)-N-ethylethanamine;hydrochloride is sourced from PubChem (CID 16956078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).