2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol

C11H21NO — CID 43183109

IUPAC2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
SMILESCCC(CO)NCC1CC=CCC1
InChIInChI=1S/C11H21NO/c1-2-11(9-13)12-8-10-6-4-3-5-7-10/h3-4,10-13H,2,5-9H2,1H3
InChIKeyLIVXEFGHWNFGDQ-UHFFFAOYSA-N
MW183.29 g/mol
LogP1.70
Rot. Bonds5

About 2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol

2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol (PubChem CID 43183109) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol.

Molecular Properties

Compound Name2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
PubChem CID43183109
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol
SMILESCCC(CO)NCC1CC=CCC1
InChIInChI=1S/C11H21NO/c1-2-11(9-13)12-8-10-6-4-3-5-7-10/h3-4,10-13H,2,5-9H2,1H3
InChIKeyLIVXEFGHWNFGDQ-UHFFFAOYSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-3-en-1-ylmethylamino)butan-1-ol?
The IUPAC name of 2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol (CID 43183109) is 2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol.
What is the SMILES notation for 2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol?
The canonical SMILES for 2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol is CCC(CO)NCC1CC=CCC1.
What is the InChIKey of 2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol?
The InChIKey is LIVXEFGHWNFGDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-2-11(9-13)12-8-10-6-4-3-5-7-10/h3-4,10-13H,2,5-9H2,1H3.
What are the key properties of 2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol?
2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol has a molecular weight of 183.29 g/mol, XLogP of 1.70, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohex-3-en-1-ylmethylamino)butan-1-ol is sourced from PubChem (CID 43183109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).