2-[(1S)-cyclohex-3-en-1-yl]ethanamine

C8H15N — CID 92981480

IUPAC2-[(1S)-cyclohex-3-en-1-yl]ethanamine
SMILESNCC[C@@H]1CC=CCC1
InChIInChI=1S/C8H15N/c9-7-6-8-4-2-1-3-5-8/h1-2,8H,3-7,9H2/t8-/m1/s1
InChIKeyCMPQPEBYXODWON-MRVPVSSYSA-N
MW125.21 g/mol
LogP1.69
Rot. Bonds2

About 2-[(1S)-cyclohex-3-en-1-yl]ethanamine

2-[(1S)-cyclohex-3-en-1-yl]ethanamine (PubChem CID 92981480) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 2-[(1S)-cyclohex-3-en-1-yl]ethanamine.

Molecular Properties

Compound Name2-[(1S)-cyclohex-3-en-1-yl]ethanamine
PubChem CID92981480
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name2-[(1S)-cyclohex-3-en-1-yl]ethanamine
SMILESNCC[C@@H]1CC=CCC1
InChIInChI=1S/C8H15N/c9-7-6-8-4-2-1-3-5-8/h1-2,8H,3-7,9H2/t8-/m1/s1
InChIKeyCMPQPEBYXODWON-MRVPVSSYSA-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-[(1S)-cyclohex-3-en-1-yl]ethanamine?
The IUPAC name of 2-[(1S)-cyclohex-3-en-1-yl]ethanamine (CID 92981480) is 2-[(1S)-cyclohex-3-en-1-yl]ethanamine.
What is the SMILES notation for 2-[(1S)-cyclohex-3-en-1-yl]ethanamine?
The canonical SMILES for 2-[(1S)-cyclohex-3-en-1-yl]ethanamine is NCC[C@@H]1CC=CCC1.
What is the InChIKey of 2-[(1S)-cyclohex-3-en-1-yl]ethanamine?
The InChIKey is CMPQPEBYXODWON-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H15N/c9-7-6-8-4-2-1-3-5-8/h1-2,8H,3-7,9H2/t8-/m1/s1.
What are the key properties of 2-[(1S)-cyclohex-3-en-1-yl]ethanamine?
2-[(1S)-cyclohex-3-en-1-yl]ethanamine 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-[(1S)-cyclohex-3-en-1-yl]ethanamine is sourced from PubChem (CID 92981480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).