5-(diethylamino)-5-ethyl-2-methylhept-1-en-4-ol

C14H29NO — CID 79179346

IUPAC5-(diethylamino)-5-ethyl-2-methylhept-1-en-4-ol
SMILESC=C(C)CC(O)C(CC)(CC)N(CC)CC
InChIInChI=1S/C14H29NO/c1-7-14(8-2,15(9-3)10-4)13(16)11-12(5)6/h13,16H,5,7-11H2,1-4,6H3
InChIKeyDNPFJBZPZBRFPJ-UHFFFAOYSA-N
MW227.39 g/mol
LogP3.21
Rot. Bonds8

About 5-(diethylamino)-5-ethyl-2-methylhept-1-en-4-ol

5-(diethylamino)-5-ethyl-2-methylhept-1-en-4-ol (PubChem CID 79179346) has the molecular formula C14H29NO and a molecular weight of 227.39 g/mol. Its IUPAC name is 5-(diethylamino)-5-ethyl-2-methylhept-1-en-4-ol.

Molecular Properties

Compound Name5-(diethylamino)-5-ethyl-2-methylhept-1-en-4-ol
PubChem CID79179346
Molecular FormulaC14H29NO
Molecular Weight227.39 g/mol
Exact Mass227.22
IUPAC Name5-(diethylamino)-5-ethyl-2-methylhept-1-en-4-ol
SMILESC=C(C)CC(O)C(CC)(CC)N(CC)CC
InChIInChI=1S/C14H29NO/c1-7-14(8-2,15(9-3)10-4)13(16)11-12(5)6/h13,16H,5,7-11H2,1-4,6H3
InChIKeyDNPFJBZPZBRFPJ-UHFFFAOYSA-N
XLogP3.21
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.39
LogP ≤ 53.21
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 5-(diethylamino)-5-ethyl-2-methylhept-1-en-4-ol?
The IUPAC name of 5-(diethylamino)-5-ethyl-2-methylhept-1-en-4-ol (CID 79179346) is 5-(diethylamino)-5-ethyl-2-methylhept-1-en-4-ol.
What is the SMILES notation for 5-(diethylamino)-5-ethyl-2-methylhept-1-en-4-ol?
The canonical SMILES for 5-(diethylamino)-5-ethyl-2-methylhept-1-en-4-ol is C=C(C)CC(O)C(CC)(CC)N(CC)CC.
What is the InChIKey of 5-(diethylamino)-5-ethyl-2-methylhept-1-en-4-ol?
The InChIKey is DNPFJBZPZBRFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO/c1-7-14(8-2,15(9-3)10-4)13(16)11-12(5)6/h13,16H,5,7-11H2,1-4,6H3.
What are the key properties of 5-(diethylamino)-5-ethyl-2-methylhept-1-en-4-ol?
5-(diethylamino)-5-ethyl-2-methylhept-1-en-4-ol has a molecular weight of 227.39 g/mol, XLogP of 3.21, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)-5-ethyl-2-methylhept-1-en-4-ol is sourced from PubChem (CID 79179346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).