3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol

C12H27NO2 — CID 106285645

IUPAC3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol
SMILESCCC(CC)C(O)CNCCOC(C)C
InChIInChI=1S/C12H27NO2/c1-5-11(6-2)12(14)9-13-7-8-15-10(3)4/h10-14H,5-9H2,1-4H3
InChIKeyMCSWPYSCWYKTPD-UHFFFAOYSA-N
MW217.35 g/mol
LogP1.80
Rot. Bonds9

About 3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol

3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol (PubChem CID 106285645) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol.

Molecular Properties

Compound Name3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol
PubChem CID106285645
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol
SMILESCCC(CC)C(O)CNCCOC(C)C
InChIInChI=1S/C12H27NO2/c1-5-11(6-2)12(14)9-13-7-8-15-10(3)4/h10-14H,5-9H2,1-4H3
InChIKeyMCSWPYSCWYKTPD-UHFFFAOYSA-N
XLogP1.80
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-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

(2S)-3-(2-propan-2-yloxyethylamino)propane-1,2-diol
CID 104760155
3-ethyl-1-(ethylamino)pentan-2-ol
CID 62774490
1,1,1-trifluoro-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760283
2,3-dimethyl-N-(2-propan-2-yloxyethyl)butan-1-amine
CID 64571150
3-ethyl-1-[3-(2-methoxyethoxy)propylamino]pentan-2-ol
CID 106286221
3-methyl-4-(2-propan-2-yloxyethylamino)butan-1-ol
CID 66109201
2-methyl-N-[2-[2-[2-(2-propan-2-yloxyethoxy)ethoxy]ethoxy]ethyl]propan-1-amine
CID 146640685
1-(4-methylpentan-2-yloxy)-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 104760276
1-cyclopentyl-3-(2-propan-2-yloxyethylamino)propan-2-ol
CID 103158287
1-(2-propan-2-yloxyethylamino)-3-pyrrolidin-1-ylpropan-2-ol
CID 104760072
5-[2-(1-hydroxyethoxy)ethylamino]pentane-1,2,3,4-tetrol
CID 21257697
N-(2-methoxyethyl)-2-(2-propan-2-yloxyethoxy)propan-1-amine
CID 62571731

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol?
The IUPAC name of 3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol (CID 106285645) is 3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol.
What is the SMILES notation for 3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol?
The canonical SMILES for 3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol is CCC(CC)C(O)CNCCOC(C)C.
What is the InChIKey of 3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol?
The InChIKey is MCSWPYSCWYKTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-5-11(6-2)12(14)9-13-7-8-15-10(3)4/h10-14H,5-9H2,1-4H3.
What are the key properties of 3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol?
3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol has a molecular weight of 217.35 g/mol, XLogP of 1.80, 9 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-(2-propan-2-yloxyethylamino)pentan-2-ol is sourced from PubChem (CID 106285645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).