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

C10H19N — CID 5152163

IUPAC2-(cyclohexen-1-yl)-N-ethylethanamine
SMILESCCNCCC1=CCCCC1
InChIInChI=1S/C10H19N/c1-2-11-9-8-10-6-4-3-5-7-10/h6,11H,2-5,7-9H2,1H3
InChIKeyJAROGWBXHJVFDP-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.49
Rot. Bonds4

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

2-(cyclohexen-1-yl)-N-ethylethanamine (PubChem CID 5152163) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-(cyclohexen-1-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(cyclohexen-1-yl)-N-ethylethanamine
PubChem CID5152163
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-(cyclohexen-1-yl)-N-ethylethanamine
SMILESCCNCCC1=CCCCC1
InChIInChI=1S/C10H19N/c1-2-11-9-8-10-6-4-3-5-7-10/h6,11H,2-5,7-9H2,1H3
InChIKeyJAROGWBXHJVFDP-UHFFFAOYSA-N
XLogP2.49
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.49
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?
The IUPAC name of 2-(cyclohexen-1-yl)-N-ethylethanamine (CID 5152163) is 2-(cyclohexen-1-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(cyclohexen-1-yl)-N-ethylethanamine?
The canonical SMILES for 2-(cyclohexen-1-yl)-N-ethylethanamine is CCNCCC1=CCCCC1.
What is the InChIKey of 2-(cyclohexen-1-yl)-N-ethylethanamine?
The InChIKey is JAROGWBXHJVFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-2-11-9-8-10-6-4-3-5-7-10/h6,11H,2-5,7-9H2,1H3.
What are the key properties of 2-(cyclohexen-1-yl)-N-ethylethanamine?
2-(cyclohexen-1-yl)-N-ethylethanamine has a molecular weight of 153.27 g/mol, XLogP of 2.49, 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 is sourced from PubChem (CID 5152163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).