5-amino-3,7-dimethylocta-1,6-dien-3-ol

C10H19NO — CID 122579862

IUPAC5-amino-3,7-dimethylocta-1,6-dien-3-ol
SMILESC=CC(C)(O)CC(N)C=C(C)C
InChIInChI=1S/C10H19NO/c1-5-10(4,12)7-9(11)6-8(2)3/h5-6,9,12H,1,7,11H2,2-4H3
InChIKeyCBAGFVWUCRKCHZ-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.61
Rot. Bonds4

About 5-amino-3,7-dimethylocta-1,6-dien-3-ol

5-amino-3,7-dimethylocta-1,6-dien-3-ol (PubChem CID 122579862) has the molecular formula C10H19NO and a molecular weight of 169.27 g/mol. Its IUPAC name is 5-amino-3,7-dimethylocta-1,6-dien-3-ol.

Molecular Properties

Compound Name5-amino-3,7-dimethylocta-1,6-dien-3-ol
PubChem CID122579862
Molecular FormulaC10H19NO
Molecular Weight169.27 g/mol
Exact Mass169.15
IUPAC Name5-amino-3,7-dimethylocta-1,6-dien-3-ol
SMILESC=CC(C)(O)CC(N)C=C(C)C
InChIInChI=1S/C10H19NO/c1-5-10(4,12)7-9(11)6-8(2)3/h5-6,9,12H,1,7,11H2,2-4H3
InChIKeyCBAGFVWUCRKCHZ-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3,7-dimethylocta-1,6-dien-3-ol?
The IUPAC name of 5-amino-3,7-dimethylocta-1,6-dien-3-ol (CID 122579862) is 5-amino-3,7-dimethylocta-1,6-dien-3-ol.
What is the SMILES notation for 5-amino-3,7-dimethylocta-1,6-dien-3-ol?
The canonical SMILES for 5-amino-3,7-dimethylocta-1,6-dien-3-ol is C=CC(C)(O)CC(N)C=C(C)C.
What is the InChIKey of 5-amino-3,7-dimethylocta-1,6-dien-3-ol?
The InChIKey is CBAGFVWUCRKCHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO/c1-5-10(4,12)7-9(11)6-8(2)3/h5-6,9,12H,1,7,11H2,2-4H3.
What are the key properties of 5-amino-3,7-dimethylocta-1,6-dien-3-ol?
5-amino-3,7-dimethylocta-1,6-dien-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 5-amino-3,7-dimethylocta-1,6-dien-3-ol is sourced from PubChem (CID 122579862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).