2-[2-(2,6-dimethylheptan-4-ylamino)ethoxy]ethanol

C13H29NO2 — CID 28728057

IUPAC2-[2-(2,6-dimethylheptan-4-ylamino)ethoxy]ethanol
SMILESCC(C)CC(CC(C)C)NCCOCCO
InChIInChI=1S/C13H29NO2/c1-11(2)9-13(10-12(3)4)14-5-7-16-8-6-15/h11-15H,5-10H2,1-4H3
InChIKeyWMGDCBWPHOUXRZ-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.05
Rot. Bonds10

About 2-[2-(2,6-dimethylheptan-4-ylamino)ethoxy]ethanol

2-[2-(2,6-dimethylheptan-4-ylamino)ethoxy]ethanol (PubChem CID 28728057) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 2-[2-(2,6-dimethylheptan-4-ylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(2,6-dimethylheptan-4-ylamino)ethoxy]ethanol
PubChem CID28728057
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name2-[2-(2,6-dimethylheptan-4-ylamino)ethoxy]ethanol
SMILESCC(C)CC(CC(C)C)NCCOCCO
InChIInChI=1S/C13H29NO2/c1-11(2)9-13(10-12(3)4)14-5-7-16-8-6-15/h11-15H,5-10H2,1-4H3
InChIKeyWMGDCBWPHOUXRZ-UHFFFAOYSA-N
XLogP2.05
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.05
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

2-[2-(heptan-4-ylamino)ethoxy]ethanol
CID 28727805
2-(2-ethoxyethylamino)-4-methylpentan-1-ol
CID 61246725
4-methyl-2-[2-(2-methylpropoxy)ethylamino]pentan-1-ol
CID 106451757
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol
CID 28728055
2-[2-(1-aminopropan-2-ylamino)ethoxy]ethanol
CID 103387646
2-[2-(3-methylbutylamino)ethoxy]ethanol
CID 28727325
2-[2-(2-methylpropoxyamino)ethoxy]ethanol
CID 82715522
3-[2-(2-hydroxyethoxy)ethylamino]butanenitrile
CID 62499588
2-[2-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
CID 115707263
2-[2-(2-hydroxyethoxy)ethylamino]-N-propan-2-ylpropanamide
CID 60654173
2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylpropanamide
CID 60672617
N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide
CID 77029466

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-dimethylheptan-4-ylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(2,6-dimethylheptan-4-ylamino)ethoxy]ethanol (CID 28728057) is 2-[2-(2,6-dimethylheptan-4-ylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(2,6-dimethylheptan-4-ylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(2,6-dimethylheptan-4-ylamino)ethoxy]ethanol is CC(C)CC(CC(C)C)NCCOCCO.
What is the InChIKey of 2-[2-(2,6-dimethylheptan-4-ylamino)ethoxy]ethanol?
The InChIKey is WMGDCBWPHOUXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-11(2)9-13(10-12(3)4)14-5-7-16-8-6-15/h11-15H,5-10H2,1-4H3.
What are the key properties of 2-[2-(2,6-dimethylheptan-4-ylamino)ethoxy]ethanol?
2-[2-(2,6-dimethylheptan-4-ylamino)ethoxy]ethanol has a molecular weight of 231.38 g/mol, XLogP of 2.05, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-dimethylheptan-4-ylamino)ethoxy]ethanol is sourced from PubChem (CID 28728057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).