1-(diethylamino)-5-methylhex-5-en-3-ol

C11H23NO — CID 79178036

IUPAC1-(diethylamino)-5-methylhex-5-en-3-ol
SMILESC=C(C)CC(O)CCN(CC)CC
InChIInChI=1S/C11H23NO/c1-5-12(6-2)8-7-11(13)9-10(3)4/h11,13H,3,5-9H2,1-2,4H3
InChIKeyFYSURVZKOGHQCK-UHFFFAOYSA-N
MW185.31 g/mol
LogP2.05
Rot. Bonds7

About 1-(diethylamino)-5-methylhex-5-en-3-ol

1-(diethylamino)-5-methylhex-5-en-3-ol (PubChem CID 79178036) has the molecular formula C11H23NO and a molecular weight of 185.31 g/mol. Its IUPAC name is 1-(diethylamino)-5-methylhex-5-en-3-ol.

Molecular Properties

Compound Name1-(diethylamino)-5-methylhex-5-en-3-ol
PubChem CID79178036
Molecular FormulaC11H23NO
Molecular Weight185.31 g/mol
Exact Mass185.18
IUPAC Name1-(diethylamino)-5-methylhex-5-en-3-ol
SMILESC=C(C)CC(O)CCN(CC)CC
InChIInChI=1S/C11H23NO/c1-5-12(6-2)8-7-11(13)9-10(3)4/h11,13H,3,5-9H2,1-2,4H3
InChIKeyFYSURVZKOGHQCK-UHFFFAOYSA-N
XLogP2.05
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.31
LogP ≤ 52.05
H-Bond Donors ≤ 51
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 1-(diethylamino)-5-methylhex-5-en-3-ol?
The IUPAC name of 1-(diethylamino)-5-methylhex-5-en-3-ol (CID 79178036) is 1-(diethylamino)-5-methylhex-5-en-3-ol.
What is the SMILES notation for 1-(diethylamino)-5-methylhex-5-en-3-ol?
The canonical SMILES for 1-(diethylamino)-5-methylhex-5-en-3-ol is C=C(C)CC(O)CCN(CC)CC.
What is the InChIKey of 1-(diethylamino)-5-methylhex-5-en-3-ol?
The InChIKey is FYSURVZKOGHQCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NO/c1-5-12(6-2)8-7-11(13)9-10(3)4/h11,13H,3,5-9H2,1-2,4H3.
What are the key properties of 1-(diethylamino)-5-methylhex-5-en-3-ol?
1-(diethylamino)-5-methylhex-5-en-3-ol has a molecular weight of 185.31 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)-5-methylhex-5-en-3-ol is sourced from PubChem (CID 79178036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).