(2-cyclohex-2-en-1-ylethylamino)methanol

C9H17NO — CID 121291358

IUPAC(2-cyclohex-2-en-1-ylethylamino)methanol
SMILESOCNCCC1C=CCCC1
InChIInChI=1S/C9H17NO/c11-8-10-7-6-9-4-2-1-3-5-9/h2,4,9-11H,1,3,5-8H2
InChIKeyHIMRPMYXXRFALD-UHFFFAOYSA-N
MW155.24 g/mol
LogP1.27
Rot. Bonds4

About (2-cyclohex-2-en-1-ylethylamino)methanol

(2-cyclohex-2-en-1-ylethylamino)methanol (PubChem CID 121291358) has the molecular formula C9H17NO and a molecular weight of 155.24 g/mol. Its IUPAC name is (2-cyclohex-2-en-1-ylethylamino)methanol.

Molecular Properties

Compound Name(2-cyclohex-2-en-1-ylethylamino)methanol
PubChem CID121291358
Molecular FormulaC9H17NO
Molecular Weight155.24 g/mol
Exact Mass155.13
IUPAC Name(2-cyclohex-2-en-1-ylethylamino)methanol
SMILESOCNCCC1C=CCCC1
InChIInChI=1S/C9H17NO/c11-8-10-7-6-9-4-2-1-3-5-9/h2,4,9-11H,1,3,5-8H2
InChIKeyHIMRPMYXXRFALD-UHFFFAOYSA-N
XLogP1.27
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.24
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-2-en-1-ylethylamino)methanol?
The IUPAC name of (2-cyclohex-2-en-1-ylethylamino)methanol (CID 121291358) is (2-cyclohex-2-en-1-ylethylamino)methanol.
What is the SMILES notation for (2-cyclohex-2-en-1-ylethylamino)methanol?
The canonical SMILES for (2-cyclohex-2-en-1-ylethylamino)methanol is OCNCCC1C=CCCC1.
What is the InChIKey of (2-cyclohex-2-en-1-ylethylamino)methanol?
The InChIKey is HIMRPMYXXRFALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO/c11-8-10-7-6-9-4-2-1-3-5-9/h2,4,9-11H,1,3,5-8H2.
What are the key properties of (2-cyclohex-2-en-1-ylethylamino)methanol?
(2-cyclohex-2-en-1-ylethylamino)methanol has a molecular weight of 155.24 g/mol, XLogP of 1.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohex-2-en-1-ylethylamino)methanol is sourced from PubChem (CID 121291358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).