2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propan-1-ol

C9H21NO2 — CID 112588775

IUPAC2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propan-1-ol
SMILESCC(CO)NCCOC(C)(C)C
InChIInChI=1S/C9H21NO2/c1-8(7-11)10-5-6-12-9(2,3)4/h8,10-11H,5-7H2,1-4H3
InChIKeyDCPCLOGDSAGUSS-UHFFFAOYSA-N
MW175.27 g/mol
LogP0.77
Rot. Bonds5

About 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propan-1-ol

2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propan-1-ol (PubChem CID 112588775) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propan-1-ol.

Molecular Properties

Compound Name2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propan-1-ol
PubChem CID112588775
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propan-1-ol
SMILESCC(CO)NCCOC(C)(C)C
InChIInChI=1S/C9H21NO2/c1-8(7-11)10-5-6-12-9(2,3)4/h8,10-11H,5-7H2,1-4H3
InChIKeyDCPCLOGDSAGUSS-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.27
LogP ≤ 50.77
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

N-[2-[(2-methylpropan-2-yl)oxy]ethyl]pentan-2-amine
CID 62597643
1-N,1-N-dimethyl-2-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]propane-1,2-diamine
CID 112589367
(1S)-1-cyclopentyl-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 103939598
tert-butyl N-[2-[[(2R)-1-hydroxypropan-2-yl]amino]ethyl]carbamate
CID 114985484
ethyl 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propanoate
CID 112691084
2-[(3-methoxy-3-methylbutyl)amino]propan-1-ol
CID 103019922
2-(2-butoxyethylamino)propan-1-ol
CID 61483425
(2S)-3-methyl-N-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethyl]butan-2-amine
CID 135174904
(1R)-1-(4-methylphenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 113355515
2-[(2-methylpropan-2-yl)oxy]ethylhydrazine
CID 86615301
tert-butyl N-[2-(2-methoxyethylamino)propyl]carbamate
CID 103386968
1-(4-bromophenyl)-N-[2-[(2-methylpropan-2-yl)oxy]ethyl]ethanamine
CID 112695735

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propan-1-ol?
The IUPAC name of 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propan-1-ol (CID 112588775) is 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propan-1-ol.
What is the SMILES notation for 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propan-1-ol?
The canonical SMILES for 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propan-1-ol is CC(CO)NCCOC(C)(C)C.
What is the InChIKey of 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propan-1-ol?
The InChIKey is DCPCLOGDSAGUSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-8(7-11)10-5-6-12-9(2,3)4/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propan-1-ol?
2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propan-1-ol has a molecular weight of 175.27 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2-methylpropan-2-yl)oxy]ethylamino]propan-1-ol is sourced from PubChem (CID 112588775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).