2-[2-(heptan-4-ylamino)ethoxy]ethanol

C11H25NO2 — CID 28727805

IUPAC2-[2-(heptan-4-ylamino)ethoxy]ethanol
SMILESCCCC(CCC)NCCOCCO
InChIInChI=1S/C11H25NO2/c1-3-5-11(6-4-2)12-7-9-14-10-8-13/h11-13H,3-10H2,1-2H3
InChIKeyGYQRXQHUQYGDHZ-UHFFFAOYSA-N
MW203.33 g/mol
LogP1.55
Rot. Bonds10

About 2-[2-(heptan-4-ylamino)ethoxy]ethanol

2-[2-(heptan-4-ylamino)ethoxy]ethanol (PubChem CID 28727805) has the molecular formula C11H25NO2 and a molecular weight of 203.33 g/mol. Its IUPAC name is 2-[2-(heptan-4-ylamino)ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-(heptan-4-ylamino)ethoxy]ethanol
PubChem CID28727805
Molecular FormulaC11H25NO2
Molecular Weight203.33 g/mol
Exact Mass203.19
IUPAC Name2-[2-(heptan-4-ylamino)ethoxy]ethanol
SMILESCCCC(CCC)NCCOCCO
InChIInChI=1S/C11H25NO2/c1-3-5-11(6-4-2)12-7-9-14-10-8-13/h11-13H,3-10H2,1-2H3
InChIKeyGYQRXQHUQYGDHZ-UHFFFAOYSA-N
XLogP1.55
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.33
LogP ≤ 51.55
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-(1-methoxyhexan-2-ylamino)ethoxy]ethanol
CID 115707263
2-[2-(2,6-dimethylheptan-4-ylamino)ethoxy]ethanol
CID 28728057
N-[2-(2-methylprop-2-enoxy)ethyl]heptan-4-amine
CID 115893998
N-(2-butoxyethyl)hexan-3-amine
CID 62118568
N-(3-butoxypropyl)heptan-4-amine
CID 115676243
2-[2-[[(2S)-octan-2-yl]amino]ethoxy]ethanol
CID 29007498
1-[2-[2-(2-hydroxyethoxy)ethoxy]ethylamino]dodecan-1-ol
CID 175685061
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol
CID 28728055
butane-1,1-diol;2-(2-hydroxyethoxy)ethanol
CID 87212260
2-[2-(2-hydroxyethoxy)ethylamino]hexanoic acid
CID 103248959
1-propoxy-N-propylheptan-4-amine
CID 79568616
2-[[(3S)-hexan-3-yl]amino]ethanol
CID 27254970

Frequently Asked Questions

What is the IUPAC name of 2-[2-(heptan-4-ylamino)ethoxy]ethanol?
The IUPAC name of 2-[2-(heptan-4-ylamino)ethoxy]ethanol (CID 28727805) is 2-[2-(heptan-4-ylamino)ethoxy]ethanol.
What is the SMILES notation for 2-[2-(heptan-4-ylamino)ethoxy]ethanol?
The canonical SMILES for 2-[2-(heptan-4-ylamino)ethoxy]ethanol is CCCC(CCC)NCCOCCO.
What is the InChIKey of 2-[2-(heptan-4-ylamino)ethoxy]ethanol?
The InChIKey is GYQRXQHUQYGDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25NO2/c1-3-5-11(6-4-2)12-7-9-14-10-8-13/h11-13H,3-10H2,1-2H3.
What are the key properties of 2-[2-(heptan-4-ylamino)ethoxy]ethanol?
2-[2-(heptan-4-ylamino)ethoxy]ethanol has a molecular weight of 203.33 g/mol, XLogP of 1.55, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(heptan-4-ylamino)ethoxy]ethanol is sourced from PubChem (CID 28727805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).