1-[hydroxy(2-methylpropyl)amino]ethanol

C6H15NO2 — CID 139501207

IUPAC1-[hydroxy(2-methylpropyl)amino]ethanol
SMILESCC(C)CN(O)C(C)O
InChIInChI=1S/C6H15NO2/c1-5(2)4-7(9)6(3)8/h5-6,8-9H,4H2,1-3H3
InChIKeyLSIWCTRCNBRPBL-UHFFFAOYSA-N
MW133.19 g/mol
LogP0.67
Rot. Bonds3

About 1-[hydroxy(2-methylpropyl)amino]ethanol

1-[hydroxy(2-methylpropyl)amino]ethanol (PubChem CID 139501207) has the molecular formula C6H15NO2 and a molecular weight of 133.19 g/mol. Its IUPAC name is 1-[hydroxy(2-methylpropyl)amino]ethanol.

Molecular Properties

Compound Name1-[hydroxy(2-methylpropyl)amino]ethanol
PubChem CID139501207
Molecular FormulaC6H15NO2
Molecular Weight133.19 g/mol
Exact Mass133.11
IUPAC Name1-[hydroxy(2-methylpropyl)amino]ethanol
SMILESCC(C)CN(O)C(C)O
InChIInChI=1S/C6H15NO2/c1-5(2)4-7(9)6(3)8/h5-6,8-9H,4H2,1-3H3
InChIKeyLSIWCTRCNBRPBL-UHFFFAOYSA-N
XLogP0.67
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.19
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

alumane;2-methyl-N,N-bis(2-methylpropyl)propan-1-amine
CID 158194503
N,N,N',N'-tetrakis(2-methylpropyl)oxamide
CID 4523531
(2R)-2-chloro-N,N-bis(2-methylpropyl)propanamide
CID 92660582
1-[3-[bis(2-methylpropyl)amino]propyl-(2-hydroxypropyl)amino]propan-2-ol
CID 19889997
2-amino-N,N-bis(2-methylpropyl)propanamide
CID 43588746
1-[amino(sulfanyl)amino]ethanol
CID 174685104
N,N,N',N'-tetrakis(2-methylpropyl)ethane-1,2-diamine
CID 18709992
(2S)-1-[[bis[(2R)-2-hydroxypropyl]amino]-[(2S)-2-hydroxypropyl]amino]propan-2-ol
CID 92557045
(1S)-1-(dimethylamino)ethanol
CID 93477761
(1R)-1-(dimethylamino)ethanol
CID 93477762
1-[bis(1-hydroxyethyl)amino]-2-sulfanylethanol
CID 57313457
[2-methylpropyl(propan-2-yl)amino]methanol
CID 54030512

Frequently Asked Questions

What is the IUPAC name of 1-[hydroxy(2-methylpropyl)amino]ethanol?
The IUPAC name of 1-[hydroxy(2-methylpropyl)amino]ethanol (CID 139501207) is 1-[hydroxy(2-methylpropyl)amino]ethanol.
What is the SMILES notation for 1-[hydroxy(2-methylpropyl)amino]ethanol?
The canonical SMILES for 1-[hydroxy(2-methylpropyl)amino]ethanol is CC(C)CN(O)C(C)O.
What is the InChIKey of 1-[hydroxy(2-methylpropyl)amino]ethanol?
The InChIKey is LSIWCTRCNBRPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H15NO2/c1-5(2)4-7(9)6(3)8/h5-6,8-9H,4H2,1-3H3.
What are the key properties of 1-[hydroxy(2-methylpropyl)amino]ethanol?
1-[hydroxy(2-methylpropyl)amino]ethanol has a molecular weight of 133.19 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[hydroxy(2-methylpropyl)amino]ethanol is sourced from PubChem (CID 139501207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).