3-aminooctan-4-ol

C8H19NO — CID 55284966

IUPAC3-aminooctan-4-ol
SMILESCCCCC(O)C(N)CC
InChIInChI=1S/C8H19NO/c1-3-5-6-8(10)7(9)4-2/h7-8,10H,3-6,9H2,1-2H3
InChIKeyAHZILZSKKSPIKM-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.27
Rot. Bonds5

About 3-aminooctan-4-ol

3-aminooctan-4-ol (PubChem CID 55284966) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-aminooctan-4-ol.

Molecular Properties

Compound Name3-aminooctan-4-ol
PubChem CID55284966
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3-aminooctan-4-ol
SMILESCCCCC(O)C(N)CC
InChIInChI=1S/C8H19NO/c1-3-5-6-8(10)7(9)4-2/h7-8,10H,3-6,9H2,1-2H3
InChIKeyAHZILZSKKSPIKM-UHFFFAOYSA-N
XLogP1.27
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-aminooctan-4-ol?
The IUPAC name of 3-aminooctan-4-ol (CID 55284966) is 3-aminooctan-4-ol.
What is the SMILES notation for 3-aminooctan-4-ol?
The canonical SMILES for 3-aminooctan-4-ol is CCCCC(O)C(N)CC.
What is the InChIKey of 3-aminooctan-4-ol?
The InChIKey is AHZILZSKKSPIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-3-5-6-8(10)7(9)4-2/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 3-aminooctan-4-ol?
3-aminooctan-4-ol has a molecular weight of 145.25 g/mol, XLogP of 1.27, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminooctan-4-ol is sourced from PubChem (CID 55284966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).