2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol

C10H23NO2 — CID 28728055

IUPAC2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol
SMILESCC[C@H](C)[C@H](C)NCCOCCO
InChIInChI=1S/C10H23NO2/c1-4-9(2)10(3)11-5-7-13-8-6-12/h9-12H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyMQWJMFVFWAGYJZ-UWVGGRQHSA-N
MW189.30 g/mol
LogP1.02
Rot. Bonds8

About 2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol

2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol (PubChem CID 28728055) has the molecular formula C10H23NO2 and a molecular weight of 189.30 g/mol. Its IUPAC name is 2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol
PubChem CID28728055
Molecular FormulaC10H23NO2
Molecular Weight189.30 g/mol
Exact Mass189.17
IUPAC Name2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol
SMILESCC[C@H](C)[C@H](C)NCCOCCO
InChIInChI=1S/C10H23NO2/c1-4-9(2)10(3)11-5-7-13-8-6-12/h9-12H,4-8H2,1-3H3/t9-,10-/m0/s1
InChIKeyMQWJMFVFWAGYJZ-UWVGGRQHSA-N
XLogP1.02
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.02
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-(2,6-dimethylheptan-4-ylamino)ethoxy]ethanol
CID 28728057
2-[2-(heptan-4-ylamino)ethoxy]ethanol
CID 28727805
2-[2-(1-aminopropan-2-ylamino)ethoxy]ethanol
CID 103387646
2-[2-[[(2S)-octan-2-yl]amino]ethoxy]ethanol
CID 29007498
3-[2-(2-hydroxyethoxy)ethylamino]butanenitrile
CID 62499588
2-[3-(1,1-dimethoxypropan-2-ylamino)propoxy]ethanol
CID 106309355
(2R,3R)-3-methyl-N-(3-methylbutyl)pentan-2-amine
CID 28614527
N-butyl-3-methylpentan-2-amine
CID 43200990
N'-hydroxy-2-[2-(2-hydroxyethoxy)ethylamino]propanimidamide
CID 77029466
2-[2-(2-hydroxyethoxy)ethylamino]-N,N-dimethylpropanamide
CID 60672617
2-[2-(2-hydroxyethoxy)ethylamino]-N-propan-2-ylpropanamide
CID 60654173
N-(3-methoxypropyl)-3-methylpentan-2-amine
CID 43205167

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol?
The IUPAC name of 2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol (CID 28728055) is 2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol is CC[C@H](C)[C@H](C)NCCOCCO.
What is the InChIKey of 2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol?
The InChIKey is MQWJMFVFWAGYJZ-UWVGGRQHSA-N. The full InChI is InChI=1S/C10H23NO2/c1-4-9(2)10(3)11-5-7-13-8-6-12/h9-12H,4-8H2,1-3H3/t9-,10-/m0/s1.
What are the key properties of 2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol?
2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol has a molecular weight of 189.30 g/mol, XLogP of 1.02, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[(2S,3S)-3-methylpentan-2-yl]amino]ethoxy]ethanol is sourced from PubChem (CID 28728055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).