3-aminooctan-2-ol

C8H19NO — CID 14271184

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

About 3-aminooctan-2-ol

3-aminooctan-2-ol (PubChem CID 14271184) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 3-aminooctan-2-ol.

Molecular Properties

Compound Name3-aminooctan-2-ol
PubChem CID14271184
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name3-aminooctan-2-ol
SMILESCCCCCC(N)C(C)O
InChIInChI=1S/C8H19NO/c1-3-4-5-6-8(9)7(2)10/h7-8,10H,3-6,9H2,1-2H3
InChIKeyZSPFVQUYVKGZEN-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

Computed Properties (RDKit)

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

Analyze 3-aminooctan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-aminoicosan-2-ol
CID 19964089
(2S)-2-aminoheptane-1,1-diol
CID 166719915
hexadecane-6,7-diamine
CID 57245820
tritriacontane-16,17-diamine
CID 57106039
hexatriacontane-18,19-diamine
CID 57054547
2-aminopentadecane-1,1-diol;hydrochloride
CID 173417689
13-aminoheptacosan-12-ol
CID 118194809
2-aminononadecane-1,1-diol;hydrobromide
CID 175114917
(3R)-2-methylundecan-3-amine
CID 167260316
4-amino-2-methylnonane-1,3-diol
CID 134423257
heptan-2-ol;hydroxylamine
CID 88625997
(2S,3S)-3-aminoheptadecane-1,2-diol
CID 10085469

Frequently Asked Questions

What is the IUPAC name of 3-aminooctan-2-ol?
The IUPAC name of 3-aminooctan-2-ol (CID 14271184) is 3-aminooctan-2-ol.
What is the SMILES notation for 3-aminooctan-2-ol?
The canonical SMILES for 3-aminooctan-2-ol is CCCCCC(N)C(C)O.
What is the InChIKey of 3-aminooctan-2-ol?
The InChIKey is ZSPFVQUYVKGZEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-3-4-5-6-8(9)7(2)10/h7-8,10H,3-6,9H2,1-2H3.
What are the key properties of 3-aminooctan-2-ol?
3-aminooctan-2-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-2-ol is sourced from PubChem (CID 14271184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).