2-(cyclohex-3-en-1-ylmethoxy)ethanamine

C9H17NO — CID 89197335

IUPAC2-(cyclohex-3-en-1-ylmethoxy)ethanamine
SMILESNCCOCC1CC=CCC1
InChIInChI=1S/C9H17NO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-2,9H,3-8,10H2
InChIKeyKJZRWZFFWJIKIO-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.32
Rot. Bonds4

About 2-(cyclohex-3-en-1-ylmethoxy)ethanamine

2-(cyclohex-3-en-1-ylmethoxy)ethanamine (PubChem CID 89197335) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethoxy)ethanamine.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethoxy)ethanamine
PubChem CID89197335
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name2-(cyclohex-3-en-1-ylmethoxy)ethanamine
SMILESNCCOCC1CC=CCC1
InChIInChI=1S/C9H17NO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-2,9H,3-8,10H2
InChIKeyKJZRWZFFWJIKIO-UHFFFAOYSA-N
XLogP1.32
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.32
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-(cyclohex-3-en-1-ylmethoxy)ethanamine?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethoxy)ethanamine (CID 89197335) is 2-(cyclohex-3-en-1-ylmethoxy)ethanamine.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethoxy)ethanamine?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethoxy)ethanamine is NCCOCC1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethoxy)ethanamine?
The InChIKey is KJZRWZFFWJIKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-2,9H,3-8,10H2.
What are the key properties of 2-(cyclohex-3-en-1-ylmethoxy)ethanamine?
2-(cyclohex-3-en-1-ylmethoxy)ethanamine has a molecular weight of 155.24 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethoxy)ethanamine is sourced from PubChem (CID 89197335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).