(2R)-1-aminooctan-2-ol

C8H19NO — CID 13476237

IUPAC(2R)-1-aminooctan-2-ol
SMILESCCCCCC[C@@H](O)CN
InChIInChI=1S/C8H19NO/c1-2-3-4-5-6-8(10)7-9/h8,10H,2-7,9H2,1H3/t8-/m1/s1
InChIKeyMPGVRLGIUWFEPA-MRVPVSSYSA-N
MW145.25 g/mol
LogP1.28
Rot. Bonds6

About (2R)-1-aminooctan-2-ol

(2R)-1-aminooctan-2-ol (PubChem CID 13476237) has the molecular formula C8H19NO and a molecular weight of 145.25 g/mol. Its IUPAC name is (2R)-1-aminooctan-2-ol.

Molecular Properties

Compound Name(2R)-1-aminooctan-2-ol
PubChem CID13476237
Molecular FormulaC8H19NO
Molecular Weight145.25 g/mol
Exact Mass145.15
IUPAC Name(2R)-1-aminooctan-2-ol
SMILESCCCCCC[C@@H](O)CN
InChIInChI=1S/C8H19NO/c1-2-3-4-5-6-8(10)7-9/h8,10H,2-7,9H2,1H3/t8-/m1/s1
InChIKeyMPGVRLGIUWFEPA-MRVPVSSYSA-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

1-aminohenicosan-2-ol
CID 88605177
1-aminotetradecan-2-ol;sulfuric acid
CID 158919972
1-aminoheptan-2-ol;phosphoric acid
CID 174932535
1,24-diaminotetracosane-2,23-diol
CID 175286632
(7R)-hexatriacontan-7-ol
CID 88529159
nonacosane-7,20-diol
CID 174949468
icosan-9-ol
CID 11983377
tetracosan-6-ol
CID 154265400
icosan-6-ol
CID 19931277
hexatriacontan-17-ol
CID 3020851
octacosan-10-ol
CID 22568705
tetratetracontan-22-ol
CID 91434437

Frequently Asked Questions

What is the IUPAC name of (2R)-1-aminooctan-2-ol?
The IUPAC name of (2R)-1-aminooctan-2-ol (CID 13476237) is (2R)-1-aminooctan-2-ol.
What is the SMILES notation for (2R)-1-aminooctan-2-ol?
The canonical SMILES for (2R)-1-aminooctan-2-ol is CCCCCC[C@@H](O)CN.
What is the InChIKey of (2R)-1-aminooctan-2-ol?
The InChIKey is MPGVRLGIUWFEPA-MRVPVSSYSA-N. The full InChI is InChI=1S/C8H19NO/c1-2-3-4-5-6-8(10)7-9/h8,10H,2-7,9H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-1-aminooctan-2-ol?
(2R)-1-aminooctan-2-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 (2R)-1-aminooctan-2-ol is sourced from PubChem (CID 13476237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).