(2Z,4E,6E)-9-aminodeca-2,4,6-trien-4-ol

C10H17NO — CID 167469816

IUPAC(2Z,4E,6E)-9-aminodeca-2,4,6-trien-4-ol
SMILESC/C=C\C(O)=C/C=C/CC(C)N
InChIInChI=1S/C10H17NO/c1-3-6-10(12)8-5-4-7-9(2)11/h3-6,8-9,12H,7,11H2,1-2H3/b5-4+,6-3-,10-8+
InChIKeyDYPUUXGHUXVEML-WNWYXKMNSA-N
MW167.25 g/mol
LogP2.30
Rot. Bonds4

About (2Z,4E,6E)-9-aminodeca-2,4,6-trien-4-ol

(2Z,4E,6E)-9-aminodeca-2,4,6-trien-4-ol (PubChem CID 167469816) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is (2Z,4E,6E)-9-aminodeca-2,4,6-trien-4-ol.

Molecular Properties

Compound Name(2Z,4E,6E)-9-aminodeca-2,4,6-trien-4-ol
PubChem CID167469816
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name(2Z,4E,6E)-9-aminodeca-2,4,6-trien-4-ol
SMILESC/C=C\C(O)=C/C=C/CC(C)N
InChIInChI=1S/C10H17NO/c1-3-6-10(12)8-5-4-7-9(2)11/h3-6,8-9,12H,7,11H2,1-2H3/b5-4+,6-3-,10-8+
InChIKeyDYPUUXGHUXVEML-WNWYXKMNSA-N
XLogP2.30
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 52.30
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,4E,6E)-9-aminodeca-2,4,6-trien-4-ol?
The IUPAC name of (2Z,4E,6E)-9-aminodeca-2,4,6-trien-4-ol (CID 167469816) is (2Z,4E,6E)-9-aminodeca-2,4,6-trien-4-ol.
What is the SMILES notation for (2Z,4E,6E)-9-aminodeca-2,4,6-trien-4-ol?
The canonical SMILES for (2Z,4E,6E)-9-aminodeca-2,4,6-trien-4-ol is C/C=C\C(O)=C/C=C/CC(C)N.
What is the InChIKey of (2Z,4E,6E)-9-aminodeca-2,4,6-trien-4-ol?
The InChIKey is DYPUUXGHUXVEML-WNWYXKMNSA-N. The full InChI is InChI=1S/C10H17NO/c1-3-6-10(12)8-5-4-7-9(2)11/h3-6,8-9,12H,7,11H2,1-2H3/b5-4+,6-3-,10-8+.
What are the key properties of (2Z,4E,6E)-9-aminodeca-2,4,6-trien-4-ol?
(2Z,4E,6E)-9-aminodeca-2,4,6-trien-4-ol has a molecular weight of 167.25 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E,6E)-9-aminodeca-2,4,6-trien-4-ol is sourced from PubChem (CID 167469816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).