2-cyclohex-2-en-1-ylethanamine

C8H15N — CID 21432851

IUPAC2-cyclohex-2-en-1-ylethanamine
SMILESNCCC1C=CCCC1
InChIInChI=1S/C8H15N/c9-7-6-8-4-2-1-3-5-8/h2,4,8H,1,3,5-7,9H2
InChIKeyBMSYUCNCQXIFMH-UHFFFAOYSA-N
MW125.21 g/mol
LogP1.69
Rot. Bonds2

About 2-cyclohex-2-en-1-ylethanamine

2-cyclohex-2-en-1-ylethanamine (PubChem CID 21432851) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2-cyclohex-2-en-1-ylethanamine.

Molecular Properties

Compound Name2-cyclohex-2-en-1-ylethanamine
PubChem CID21432851
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2-cyclohex-2-en-1-ylethanamine
SMILESNCCC1C=CCCC1
InChIInChI=1S/C8H15N/c9-7-6-8-4-2-1-3-5-8/h2,4,8H,1,3,5-7,9H2
InChIKeyBMSYUCNCQXIFMH-UHFFFAOYSA-N
XLogP1.69
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-cyclohex-2-en-1-ylethanamine?
The IUPAC name of 2-cyclohex-2-en-1-ylethanamine (CID 21432851) is 2-cyclohex-2-en-1-ylethanamine.
What is the SMILES notation for 2-cyclohex-2-en-1-ylethanamine?
The canonical SMILES for 2-cyclohex-2-en-1-ylethanamine is NCCC1C=CCCC1.
What is the InChIKey of 2-cyclohex-2-en-1-ylethanamine?
The InChIKey is BMSYUCNCQXIFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N/c9-7-6-8-4-2-1-3-5-8/h2,4,8H,1,3,5-7,9H2.
What are the key properties of 2-cyclohex-2-en-1-ylethanamine?
2-cyclohex-2-en-1-ylethanamine has a molecular weight of 125.21 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohex-2-en-1-ylethanamine is sourced from PubChem (CID 21432851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).