5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol

C11H25NO2 — CID 79047122

IUPAC5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol
SMILESCCN(CCCCCO)CC(C)(C)O
InChIInChI=1S/C11H25NO2/c1-4-12(10-11(2,3)14)8-6-5-7-9-13/h13-14H,4-10H2,1-3H3
InChIKeyACHAZFGDVXZCNH-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.24
Rot. Bonds8

About 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol

5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol (PubChem CID 79047122) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol.

Molecular Properties

Compound Name5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol
PubChem CID79047122
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol
SMILESCCN(CCCCCO)CC(C)(C)O
InChIInChI=1S/C11H25NO2/c1-4-12(10-11(2,3)14)8-6-5-7-9-13/h13-14H,4-10H2,1-3H3
InChIKeyACHAZFGDVXZCNH-UHFFFAOYSA-N
XLogP1.24
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[dodecyl(ethyl)amino]-2-methylpropan-2-ol
CID 79390324
1-[9-bromononyl(ethyl)amino]-2-methylpropan-2-ol
CID 105343823
6-[6-(diethylamino)hexyl-ethylamino]hexan-1-ol
CID 125481029
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentanethioamide
CID 79381978
1-[2-aminoethyl(ethyl)amino]-2-methylpropan-2-ol
CID 79006123
6-[ethyl-(2-hydroxy-2-methylpropyl)amino]hexan-3-one
CID 106801517
1-[butyl-(2-hydroxy-2-methylpropyl)amino]-2-methylpropan-2-ol
CID 90370489
3-[ethyl(hexadecyl)amino]propan-1-ol
CID 138077517
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]-2,2-dimethylpentanethioamide
CID 79380688
6-[hexadecyl(6-hydroxyhexyl)amino]hexan-1-ol
CID 154641692
11-[dodecyl(11-hydroxyundecyl)amino]undecan-1-ol
CID 102118011
8-[butyl(8-hydroxyoctyl)amino]octan-1-ol
CID 139645633

Frequently Asked Questions

What is the IUPAC name of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol?
The IUPAC name of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol (CID 79047122) is 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol.
What is the SMILES notation for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol?
The canonical SMILES for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol is CCN(CCCCCO)CC(C)(C)O.
What is the InChIKey of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol?
The InChIKey is ACHAZFGDVXZCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-4-12(10-11(2,3)14)8-6-5-7-9-13/h13-14H,4-10H2,1-3H3.
What are the key properties of 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol?
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol has a molecular weight of 203.33 g/mol, XLogP of 1.24, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pentan-1-ol is sourced from PubChem (CID 79047122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).