1-aminooctan-3-ol

C8H19NO — CID 21436343

IUPAC1-aminooctan-3-ol
SMILESCCCCCC(O)CCN
InChIInChI=1S/C8H19NO/c1-2-3-4-5-8(10)6-7-9/h8,10H,2-7,9H2,1H3
InChIKeyPYACXHRKEWIWIQ-UHFFFAOYSA-N
MW145.25 g/mol
LogP1.28
Rot. Bonds6

About 1-aminooctan-3-ol

1-aminooctan-3-ol (PubChem CID 21436343) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is 1-aminooctan-3-ol.

Molecular Properties

Compound Name1-aminooctan-3-ol
PubChem CID21436343
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name1-aminooctan-3-ol
SMILESCCCCCC(O)CCN
InChIInChI=1S/C8H19NO/c1-2-3-4-5-8(10)6-7-9/h8,10H,2-7,9H2,1H3
InChIKeyPYACXHRKEWIWIQ-UHFFFAOYSA-N
XLogP1.28
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.25
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-aminooctan-3-ol
CID 22797502
1-aminooctacosan-11-ol
CID 172994921
1-aminopentadecan-4-ol
CID 151480186
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
tetratetracontan-22-ol
CID 91434437
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
(5S)-octadecan-5-ol
CID 98231191

Frequently Asked Questions

What is the IUPAC name of 1-aminooctan-3-ol?
The IUPAC name of 1-aminooctan-3-ol (CID 21436343) is 1-aminooctan-3-ol.
What is the SMILES notation for 1-aminooctan-3-ol?
The canonical SMILES for 1-aminooctan-3-ol is CCCCCC(O)CCN.
What is the InChIKey of 1-aminooctan-3-ol?
The InChIKey is PYACXHRKEWIWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H19NO/c1-2-3-4-5-8(10)6-7-9/h8,10H,2-7,9H2,1H3.
What are the key properties of 1-aminooctan-3-ol?
1-aminooctan-3-ol has a molecular weight of 145.25 g/mol, XLogP of 1.28, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminooctan-3-ol is sourced from PubChem (CID 21436343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).