1-(diethylamino)oct-7-en-3-ol

C12H25NO — CID 79087749

IUPAC1-(diethylamino)oct-7-en-3-ol
SMILESC=CCCCC(O)CCN(CC)CC
InChIInChI=1S/C12H25NO/c1-4-7-8-9-12(14)10-11-13(5-2)6-3/h4,12,14H,1,5-11H2,2-3H3
InChIKeyAYYHPFXDBJWKDQ-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.44
Rot. Bonds9

About 1-(diethylamino)oct-7-en-3-ol

1-(diethylamino)oct-7-en-3-ol (PubChem CID 79087749) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(diethylamino)oct-7-en-3-ol.

Molecular Properties

Compound Name1-(diethylamino)oct-7-en-3-ol
PubChem CID79087749
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(diethylamino)oct-7-en-3-ol
SMILESC=CCCCC(O)CCN(CC)CC
InChIInChI=1S/C12H25NO/c1-4-7-8-9-12(14)10-11-13(5-2)6-3/h4,12,14H,1,5-11H2,2-3H3
InChIKeyAYYHPFXDBJWKDQ-UHFFFAOYSA-N
XLogP2.44
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.44
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 1-(diethylamino)oct-7-en-3-ol?
The IUPAC name of 1-(diethylamino)oct-7-en-3-ol (CID 79087749) is 1-(diethylamino)oct-7-en-3-ol.
What is the SMILES notation for 1-(diethylamino)oct-7-en-3-ol?
The canonical SMILES for 1-(diethylamino)oct-7-en-3-ol is C=CCCCC(O)CCN(CC)CC.
What is the InChIKey of 1-(diethylamino)oct-7-en-3-ol?
The InChIKey is AYYHPFXDBJWKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-4-7-8-9-12(14)10-11-13(5-2)6-3/h4,12,14H,1,5-11H2,2-3H3.
What are the key properties of 1-(diethylamino)oct-7-en-3-ol?
1-(diethylamino)oct-7-en-3-ol has a molecular weight of 199.34 g/mol, XLogP of 2.44, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diethylamino)oct-7-en-3-ol is sourced from PubChem (CID 79087749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).