(2Z,4Z)-2-(ethylamino)hexa-2,4-dien-3-ol

C8H15NO — CID 166687257

IUPAC(2Z,4Z)-2-(ethylamino)hexa-2,4-dien-3-ol
SMILESC/C=C\C(O)=C(/C)NCC
InChIInChI=1S/C8H15NO/c1-4-6-8(10)7(3)9-5-2/h4,6,9-10H,5H2,1-3H3/b6-4-,8-7-
InChIKeyNGGQHBJIXGLUCN-MOIRPGTBSA-N
MW141.21 g/mol
LogP1.96
Rot. Bonds3

About (2Z,4Z)-2-(ethylamino)hexa-2,4-dien-3-ol

(2Z,4Z)-2-(ethylamino)hexa-2,4-dien-3-ol (PubChem CID 166687257) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is (2Z,4Z)-2-(ethylamino)hexa-2,4-dien-3-ol.

Molecular Properties

Compound Name(2Z,4Z)-2-(ethylamino)hexa-2,4-dien-3-ol
PubChem CID166687257
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name(2Z,4Z)-2-(ethylamino)hexa-2,4-dien-3-ol
SMILESC/C=C\C(O)=C(/C)NCC
InChIInChI=1S/C8H15NO/c1-4-6-8(10)7(3)9-5-2/h4,6,9-10H,5H2,1-3H3/b6-4-,8-7-
InChIKeyNGGQHBJIXGLUCN-MOIRPGTBSA-N
XLogP1.96
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2Z,4Z)-2-(ethylamino)hexa-2,4-dien-3-ol?
The IUPAC name of (2Z,4Z)-2-(ethylamino)hexa-2,4-dien-3-ol (CID 166687257) is (2Z,4Z)-2-(ethylamino)hexa-2,4-dien-3-ol.
What is the SMILES notation for (2Z,4Z)-2-(ethylamino)hexa-2,4-dien-3-ol?
The canonical SMILES for (2Z,4Z)-2-(ethylamino)hexa-2,4-dien-3-ol is C/C=C\C(O)=C(/C)NCC.
What is the InChIKey of (2Z,4Z)-2-(ethylamino)hexa-2,4-dien-3-ol?
The InChIKey is NGGQHBJIXGLUCN-MOIRPGTBSA-N. The full InChI is InChI=1S/C8H15NO/c1-4-6-8(10)7(3)9-5-2/h4,6,9-10H,5H2,1-3H3/b6-4-,8-7-.
What are the key properties of (2Z,4Z)-2-(ethylamino)hexa-2,4-dien-3-ol?
(2Z,4Z)-2-(ethylamino)hexa-2,4-dien-3-ol has a molecular weight of 141.21 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4Z)-2-(ethylamino)hexa-2,4-dien-3-ol is sourced from PubChem (CID 166687257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).