7-(1-aminoethoxy)octan-2-ol

C10H23NO2 — CID 123451124

IUPAC7-(1-aminoethoxy)octan-2-ol
SMILESCC(O)CCCCC(C)OC(C)N
InChIInChI=1S/C10H23NO2/c1-8(12)6-4-5-7-9(2)13-10(3)11/h8-10,12H,4-7,11H2,1-3H3
InChIKeyVHPKGIQMXIHENX-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.64
Rot. Bonds7

About 7-(1-aminoethoxy)octan-2-ol

7-(1-aminoethoxy)octan-2-ol (PubChem CID 123451124) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 7-(1-aminoethoxy)octan-2-ol.

Molecular Properties

Compound Name7-(1-aminoethoxy)octan-2-ol
PubChem CID123451124
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name7-(1-aminoethoxy)octan-2-ol
SMILESCC(O)CCCCC(C)OC(C)N
InChIInChI=1S/C10H23NO2/c1-8(12)6-4-5-7-9(2)13-10(3)11/h8-10,12H,4-7,11H2,1-3H3
InChIKeyVHPKGIQMXIHENX-UHFFFAOYSA-N
XLogP1.64
TPSA55.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

heptan-2-ol;hydroxylamine
CID 88625997
(2S)-2-(1-aminoethoxy)propan-1-ol
CID 142604157
2-octan-2-yloxyoctane;propane-1,2-diol
CID 174594083
CID 86038274
CID 86038274
(2R)-heptan-2-ol
CID 6992611
(2R)-heptan-2-ol;methane;O-methylhydroxylamine
CID 142521484
henicosane-1,20-diol
CID 86247204
hexadecane-1,15-diol
CID 53400630
(2S)-octadecan-2-ol
CID 25022019
(10S)-undecane-1,10-diol
CID 129382222
octan-2-ol
CID 20083
(2S)-heptan-2-ol;hydrochloride
CID 141119609

Frequently Asked Questions

What is the IUPAC name of 7-(1-aminoethoxy)octan-2-ol?
The IUPAC name of 7-(1-aminoethoxy)octan-2-ol (CID 123451124) is 7-(1-aminoethoxy)octan-2-ol.
What is the SMILES notation for 7-(1-aminoethoxy)octan-2-ol?
The canonical SMILES for 7-(1-aminoethoxy)octan-2-ol is CC(O)CCCCC(C)OC(C)N.
What is the InChIKey of 7-(1-aminoethoxy)octan-2-ol?
The InChIKey is VHPKGIQMXIHENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H23NO2/c1-8(12)6-4-5-7-9(2)13-10(3)11/h8-10,12H,4-7,11H2,1-3H3.
What are the key properties of 7-(1-aminoethoxy)octan-2-ol?
7-(1-aminoethoxy)octan-2-ol has a molecular weight of 189.30 g/mol, XLogP of 1.64, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(1-aminoethoxy)octan-2-ol is sourced from PubChem (CID 123451124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).