(2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol

C9H15NO — CID 145285923

IUPAC(2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol
SMILESC=C/C=C(\C=C(/C)O)CCN
InChIInChI=1S/C9H15NO/c1-3-4-9(5-6-10)7-8(2)11/h3-4,7,11H,1,5-6,10H2,2H3/b8-7+,9-4-
InChIKeyGZJBNXSTWYIJEJ-KCKXTUGSSA-N
MW153.22 g/mol
LogP1.91
Rot. Bonds4

About (2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol

(2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol (PubChem CID 145285923) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is (2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol.

Molecular Properties

Compound Name(2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol
PubChem CID145285923
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name(2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol
SMILESC=C/C=C(\C=C(/C)O)CCN
InChIInChI=1S/C9H15NO/c1-3-4-9(5-6-10)7-8(2)11/h3-4,7,11H,1,5-6,10H2,2H3/b8-7+,9-4-
InChIKeyGZJBNXSTWYIJEJ-KCKXTUGSSA-N
XLogP1.91
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.91
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 (2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol?
The IUPAC name of (2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol (CID 145285923) is (2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol.
What is the SMILES notation for (2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol?
The canonical SMILES for (2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol is C=C/C=C(\C=C(/C)O)CCN.
What is the InChIKey of (2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol?
The InChIKey is GZJBNXSTWYIJEJ-KCKXTUGSSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-4-9(5-6-10)7-8(2)11/h3-4,7,11H,1,5-6,10H2,2H3/b8-7+,9-4-.
What are the key properties of (2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol?
(2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol has a molecular weight of 153.22 g/mol, XLogP of 1.91, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-4-(2-aminoethyl)hepta-2,4,6-trien-2-ol is sourced from PubChem (CID 145285923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).