(E)-3-ethyl-1-(ethylamino)hex-4-en-3-ol

C10H21NO — CID 166880542

IUPAC(E)-3-ethyl-1-(ethylamino)hex-4-en-3-ol
SMILESC/C=C/C(O)(CC)CCNCC
InChIInChI=1S/C10H21NO/c1-4-7-10(12,5-2)8-9-11-6-3/h4,7,11-12H,5-6,8-9H2,1-3H3/b7-4+
InChIKeyJQEZQFCUGYDEEU-QPJJXVBHSA-N
MW171.28 g/mol
LogP1.70
Rot. Bonds6

About (E)-3-ethyl-1-(ethylamino)hex-4-en-3-ol

(E)-3-ethyl-1-(ethylamino)hex-4-en-3-ol (PubChem CID 166880542) has the molecular formula C10H21NO and a molecular weight of 171.28 g/mol. Its IUPAC name is (E)-3-ethyl-1-(ethylamino)hex-4-en-3-ol.

Molecular Properties

Compound Name(E)-3-ethyl-1-(ethylamino)hex-4-en-3-ol
PubChem CID166880542
Molecular FormulaC10H21NO
Molecular Weight171.28 g/mol
Exact Mass171.16
IUPAC Name(E)-3-ethyl-1-(ethylamino)hex-4-en-3-ol
SMILESC/C=C/C(O)(CC)CCNCC
InChIInChI=1S/C10H21NO/c1-4-7-10(12,5-2)8-9-11-6-3/h4,7,11-12H,5-6,8-9H2,1-3H3/b7-4+
InChIKeyJQEZQFCUGYDEEU-QPJJXVBHSA-N
XLogP1.70
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.28
LogP ≤ 51.70
H-Bond Donors ≤ 52
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 (E)-3-ethyl-1-(ethylamino)hex-4-en-3-ol?
The IUPAC name of (E)-3-ethyl-1-(ethylamino)hex-4-en-3-ol (CID 166880542) is (E)-3-ethyl-1-(ethylamino)hex-4-en-3-ol.
What is the SMILES notation for (E)-3-ethyl-1-(ethylamino)hex-4-en-3-ol?
The canonical SMILES for (E)-3-ethyl-1-(ethylamino)hex-4-en-3-ol is C/C=C/C(O)(CC)CCNCC.
What is the InChIKey of (E)-3-ethyl-1-(ethylamino)hex-4-en-3-ol?
The InChIKey is JQEZQFCUGYDEEU-QPJJXVBHSA-N. The full InChI is InChI=1S/C10H21NO/c1-4-7-10(12,5-2)8-9-11-6-3/h4,7,11-12H,5-6,8-9H2,1-3H3/b7-4+.
What are the key properties of (E)-3-ethyl-1-(ethylamino)hex-4-en-3-ol?
(E)-3-ethyl-1-(ethylamino)hex-4-en-3-ol has a molecular weight of 171.28 g/mol, XLogP of 1.70, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-ethyl-1-(ethylamino)hex-4-en-3-ol is sourced from PubChem (CID 166880542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).