2-(tert-butylamino)-1-propoxyethanol

C9H21NO2 — CID 135283459

IUPAC2-(tert-butylamino)-1-propoxyethanol
SMILESCCCOC(O)CNC(C)(C)C
InChIInChI=1S/C9H21NO2/c1-5-6-12-8(11)7-10-9(2,3)4/h8,10-11H,5-7H2,1-4H3
InChIKeyAUAQEZNNLWFTBB-UHFFFAOYSA-N
MW175.27 g/mol
LogP1.12
Rot. Bonds5

About 2-(tert-butylamino)-1-propoxyethanol

2-(tert-butylamino)-1-propoxyethanol (PubChem CID 135283459) has the molecular formula C9H21NO2 and a molecular weight of 175.27 g/mol. Its IUPAC name is 2-(tert-butylamino)-1-propoxyethanol.

Molecular Properties

Compound Name2-(tert-butylamino)-1-propoxyethanol
PubChem CID135283459
Molecular FormulaC9H21NO2
Molecular Weight175.27 g/mol
Exact Mass175.16
IUPAC Name2-(tert-butylamino)-1-propoxyethanol
SMILESCCCOC(O)CNC(C)(C)C
InChIInChI=1S/C9H21NO2/c1-5-6-12-8(11)7-10-9(2,3)4/h8,10-11H,5-7H2,1-4H3
InChIKeyAUAQEZNNLWFTBB-UHFFFAOYSA-N
XLogP1.12
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 ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Tertiarybutylaminoethoxyethanol
CID 86739037
2-[(2,2-Dibutoxy-1-methyl-ethyl)amino]ethanol
CID 458465
1,1-dimethoxy-2-methyl-N-propan-2-ylpropan-2-amine
CID 11008441
N-(2,2-diethoxyethyl)-2-methylpropan-2-amine
CID 2060481
N-(2,2-diethoxyethyl)propan-2-amine
CID 12503262
Tert-butyl(2,2-dimethoxyethyl)amine
CID 13172164
1-[2-(Tert-butylamino)propoxy]ethanol
CID 17914308
1-ethoxypropan-1-ol;N-ethylethanamine
CID 18935970
1-Ethoxyethanol;morpholine
CID 20256697
1-[1-(Tert-butylamino)ethoxy]ethanol
CID 21298895
N-[2-[1-[2-(tert-butylamino)ethoxy]ethoxy]ethyl]-2-methylpropan-2-amine
CID 22162415
2-[(2,2-Diethoxyethyl)amino]ethan-1-ol
CID 54225364

Frequently Asked Questions

What is the IUPAC name of 2-(tert-butylamino)-1-propoxyethanol?
The IUPAC name of 2-(tert-butylamino)-1-propoxyethanol (CID 135283459) is 2-(tert-butylamino)-1-propoxyethanol.
What is the SMILES notation for 2-(tert-butylamino)-1-propoxyethanol?
The canonical SMILES for 2-(tert-butylamino)-1-propoxyethanol is CCCOC(O)CNC(C)(C)C.
What is the InChIKey of 2-(tert-butylamino)-1-propoxyethanol?
The InChIKey is AUAQEZNNLWFTBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21NO2/c1-5-6-12-8(11)7-10-9(2,3)4/h8,10-11H,5-7H2,1-4H3.
What are the key properties of 2-(tert-butylamino)-1-propoxyethanol?
2-(tert-butylamino)-1-propoxyethanol has a molecular weight of 175.27 g/mol, XLogP of 1.12, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(tert-butylamino)-1-propoxyethanol is sourced from PubChem (CID 135283459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).