(2S,3R,4Z,6Z)-1-amino-3,5-dimethylocta-4,6-dien-2-ol

C10H19NO — CID 134533797

IUPAC(2S,3R,4Z,6Z)-1-amino-3,5-dimethylocta-4,6-dien-2-ol
SMILESC/C=C\C(C)=C/[C@@H](C)[C@H](O)CN
InChIInChI=1S/C10H19NO/c1-4-5-8(2)6-9(3)10(12)7-11/h4-6,9-10,12H,7,11H2,1-3H3/b5-4-,8-6-/t9-,10-/m1/s1
InChIKeyAWSNXUACNREZKG-GUWRLOPCSA-N
MW169.27 g/mol
LogP1.46
Rot. Bonds4

About (2S,3R,4Z,6Z)-1-amino-3,5-dimethylocta-4,6-dien-2-ol

(2S,3R,4Z,6Z)-1-amino-3,5-dimethylocta-4,6-dien-2-ol (PubChem CID 134533797) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is (2S,3R,4Z,6Z)-1-amino-3,5-dimethylocta-4,6-dien-2-ol.

Molecular Properties

Compound Name(2S,3R,4Z,6Z)-1-amino-3,5-dimethylocta-4,6-dien-2-ol
PubChem CID134533797
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name(2S,3R,4Z,6Z)-1-amino-3,5-dimethylocta-4,6-dien-2-ol
SMILESC/C=C\C(C)=C/[C@@H](C)[C@H](O)CN
InChIInChI=1S/C10H19NO/c1-4-5-8(2)6-9(3)10(12)7-11/h4-6,9-10,12H,7,11H2,1-3H3/b5-4-,8-6-/t9-,10-/m1/s1
InChIKeyAWSNXUACNREZKG-GUWRLOPCSA-N
XLogP1.46
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 ≤ 51.46
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 (2S,3R,4Z,6Z)-1-amino-3,5-dimethylocta-4,6-dien-2-ol?
The IUPAC name of (2S,3R,4Z,6Z)-1-amino-3,5-dimethylocta-4,6-dien-2-ol (CID 134533797) is (2S,3R,4Z,6Z)-1-amino-3,5-dimethylocta-4,6-dien-2-ol.
What is the SMILES notation for (2S,3R,4Z,6Z)-1-amino-3,5-dimethylocta-4,6-dien-2-ol?
The canonical SMILES for (2S,3R,4Z,6Z)-1-amino-3,5-dimethylocta-4,6-dien-2-ol is C/C=C\C(C)=C/[C@@H](C)[C@H](O)CN.
What is the InChIKey of (2S,3R,4Z,6Z)-1-amino-3,5-dimethylocta-4,6-dien-2-ol?
The InChIKey is AWSNXUACNREZKG-GUWRLOPCSA-N. The full InChI is InChI=1S/C10H19NO/c1-4-5-8(2)6-9(3)10(12)7-11/h4-6,9-10,12H,7,11H2,1-3H3/b5-4-,8-6-/t9-,10-/m1/s1.
What are the key properties of (2S,3R,4Z,6Z)-1-amino-3,5-dimethylocta-4,6-dien-2-ol?
(2S,3R,4Z,6Z)-1-amino-3,5-dimethylocta-4,6-dien-2-ol has a molecular weight of 169.27 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R,4Z,6Z)-1-amino-3,5-dimethylocta-4,6-dien-2-ol is sourced from PubChem (CID 134533797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).