2-[[(2R)-2-methylbutyl]amino]ethanol

C7H17NO — CID 24884413

IUPAC2-[[(2R)-2-methylbutyl]amino]ethanol
SMILESCC[C@@H](C)CNCCO
InChIInChI=1S/C7H17NO/c1-3-7(2)6-8-4-5-9/h7-9H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyLYOUIPAWIRANIU-SSDOTTSWSA-N
MW131.22 g/mol
LogP0.61
Rot. Bonds5

About 2-[[(2R)-2-methylbutyl]amino]ethanol

2-[[(2R)-2-methylbutyl]amino]ethanol (PubChem CID 24884413) has the molecular formula C7H17NO and a molecular weight of 131.22 g/mol. Its IUPAC name is 2-[[(2R)-2-methylbutyl]amino]ethanol.

Molecular Properties

Compound Name2-[[(2R)-2-methylbutyl]amino]ethanol
PubChem CID24884413
Molecular FormulaC7H17NO
Molecular Weight131.22 g/mol
Exact Mass131.13
IUPAC Name2-[[(2R)-2-methylbutyl]amino]ethanol
SMILESCC[C@@H](C)CNCCO
InChIInChI=1S/C7H17NO/c1-3-7(2)6-8-4-5-9/h7-9H,3-6H2,1-2H3/t7-/m1/s1
InChIKeyLYOUIPAWIRANIU-SSDOTTSWSA-N
XLogP0.61
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(2-methylbutylamino)ethyl]-N-[2-[2-(2-methylbutylamino)ethylamino]ethyl]ethane-1,2-diamine
CID 87768020
1-(2-hydroxyethylamino)propan-2-ol;propane
CID 145289862
4-methyl-1-(2-methylbutylamino)pentan-3-ol
CID 115887689
1-(2-methylbutylamino)pentan-3-ol
CID 115887931
5-(2-methylbutylamino)pentan-2-ol
CID 107267802
4-hydroxy-N-[2-(2-methylbutylamino)ethyl]butanamide
CID 20668910
3-(2-methylbutylamino)propane-1,2-diol
CID 58586490
2-(2-methylbutylamino)ethylurea
CID 83109541
2-(2-methanidylpropylamino)ethanol;phosphane;uranium
CID 169191093
2-(2-hydroxyethylamino)ethanol;propane
CID 142274456
3-(2-hydroxyethylamino)-2-methylpropanenitrile
CID 43389830
2-methyl-2-(2-methylbutylamino)propan-1-ol
CID 43207248

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-methylbutyl]amino]ethanol?
The IUPAC name of 2-[[(2R)-2-methylbutyl]amino]ethanol (CID 24884413) is 2-[[(2R)-2-methylbutyl]amino]ethanol.
What is the SMILES notation for 2-[[(2R)-2-methylbutyl]amino]ethanol?
The canonical SMILES for 2-[[(2R)-2-methylbutyl]amino]ethanol is CC[C@@H](C)CNCCO.
What is the InChIKey of 2-[[(2R)-2-methylbutyl]amino]ethanol?
The InChIKey is LYOUIPAWIRANIU-SSDOTTSWSA-N. The full InChI is InChI=1S/C7H17NO/c1-3-7(2)6-8-4-5-9/h7-9H,3-6H2,1-2H3/t7-/m1/s1.
What are the key properties of 2-[[(2R)-2-methylbutyl]amino]ethanol?
2-[[(2R)-2-methylbutyl]amino]ethanol has a molecular weight of 131.22 g/mol, XLogP of 0.61, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-methylbutyl]amino]ethanol is sourced from PubChem (CID 24884413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).