(Z,2R,4E)-2-amino-4-ethylideneoct-5-en-3-ol

C10H19NO — CID 129089606

IUPAC(Z,2R,4E)-2-amino-4-ethylideneoct-5-en-3-ol
SMILESC/C=C(\C=C/CC)C(O)[C@@H](C)N
InChIInChI=1S/C10H19NO/c1-4-6-7-9(5-2)10(12)8(3)11/h5-8,10,12H,4,11H2,1-3H3/b7-6-,9-5+/t8-,10?/m1/s1
InChIKeyNMDGLQKDFTXVIU-JFJFLLRISA-N
MW169.27 g/mol
LogP1.61
Rot. Bonds4

About (Z,2R,4E)-2-amino-4-ethylideneoct-5-en-3-ol

(Z,2R,4E)-2-amino-4-ethylideneoct-5-en-3-ol (PubChem CID 129089606) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (Z,2R,4E)-2-amino-4-ethylideneoct-5-en-3-ol.

Molecular Properties

Compound Name(Z,2R,4E)-2-amino-4-ethylideneoct-5-en-3-ol
PubChem CID129089606
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(Z,2R,4E)-2-amino-4-ethylideneoct-5-en-3-ol
SMILESC/C=C(\C=C/CC)C(O)[C@@H](C)N
InChIInChI=1S/C10H19NO/c1-4-6-7-9(5-2)10(12)8(3)11/h5-8,10,12H,4,11H2,1-3H3/b7-6-,9-5+/t8-,10?/m1/s1
InChIKeyNMDGLQKDFTXVIU-JFJFLLRISA-N
XLogP1.61
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z,2R,4E)-2-amino-4-ethylideneoct-5-en-3-ol?
The IUPAC name of (Z,2R,4E)-2-amino-4-ethylideneoct-5-en-3-ol (CID 129089606) is (Z,2R,4E)-2-amino-4-ethylideneoct-5-en-3-ol.
What is the SMILES notation for (Z,2R,4E)-2-amino-4-ethylideneoct-5-en-3-ol?
The canonical SMILES for (Z,2R,4E)-2-amino-4-ethylideneoct-5-en-3-ol is C/C=C(\C=C/CC)C(O)[C@@H](C)N.
What is the InChIKey of (Z,2R,4E)-2-amino-4-ethylideneoct-5-en-3-ol?
The InChIKey is NMDGLQKDFTXVIU-JFJFLLRISA-N. The full InChI is InChI=1S/C10H19NO/c1-4-6-7-9(5-2)10(12)8(3)11/h5-8,10,12H,4,11H2,1-3H3/b7-6-,9-5+/t8-,10?/m1/s1.
What are the key properties of (Z,2R,4E)-2-amino-4-ethylideneoct-5-en-3-ol?
(Z,2R,4E)-2-amino-4-ethylideneoct-5-en-3-ol has a molecular weight of 169.27 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2R,4E)-2-amino-4-ethylideneoct-5-en-3-ol is sourced from PubChem (CID 129089606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).