1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid

C14H29NO6 — CID 110181826

IUPAC1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid
SMILESCC(C)(C)COCC(O)CNC(C)(C)C.O=C(O)C(=O)O
InChIInChI=1S/C12H27NO2.C2H2O4/c1-11(2,3)9-15-8-10(14)7-13-12(4,5)6;3-1(4)2(5)6/h10,13-14H,7-9H2,1-6H3;(H,3,4)(H,5,6)
InChIKeyDEVUNMKWMRFKFM-UHFFFAOYSA-N
MW307.39 g/mol
LogP0.95
Rot. Bonds5

About 1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid

1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid (PubChem CID 110181826) has the molecular formula C14H29NO6 and a molecular weight of 307.39 g/mol. Its IUPAC name is 1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid.

Molecular Properties

Compound Name1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid
PubChem CID110181826
Molecular FormulaC14H29NO6
Molecular Weight307.39 g/mol
Exact Mass307.20
IUPAC Name1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid
SMILESCC(C)(C)COCC(O)CNC(C)(C)C.O=C(O)C(=O)O
InChIInChI=1S/C12H27NO2.C2H2O4/c1-11(2,3)9-15-8-10(14)7-13-12(4,5)6;3-1(4)2(5)6/h10,13-14H,7-9H2,1-6H3;(H,3,4)(H,5,6)
InChIKeyDEVUNMKWMRFKFM-UHFFFAOYSA-N
XLogP0.95
TPSA116.09 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 50.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(tert-butylamino)-3-ethoxypropan-2-ol
CID 63933571
1-(tert-butylamino)-3-(3-methylbutoxy)propan-2-ol
CID 110181624
1-aminooxy-3-(tert-butylamino)propan-2-ol;dihydrochloride
CID 13017286
1-(tert-butylamino)-3-methoxypropan-2-ol;hydrochloride
CID 45265339
(E)-but-2-enedioic acid;3-[3-(tert-butylamino)-2-hydroxypropoxy]propanenitrile
CID 110181617
1-(tert-butylamino)-3-hexadecoxypropan-2-ol
CID 3067046
5-[[3-(tert-butylamino)-2-hydroxypropoxy]methyl]benzene-1,3-diol
CID 15670646
1-(tert-butylamino)-3-(2,4-dimethylpentan-3-yloxy)propan-2-ol
CID 110181812
1-(tert-butylamino)-3-[4-[(tert-butylamino)methyl]-2-methoxyphenoxy]propan-2-ol;oxalic acid
CID 24905848
3-(tert-butylamino)-2-hydroxypropanoic acid
CID 83694818
[3-(tert-butylamino)-2-hydroxypropyl] cyclobutanecarboxylate
CID 14856226
[3-(2,2-dimethylpropoxy)-2-hydroxypropyl] butanoate
CID 118263382

Frequently Asked Questions

What is the IUPAC name of 1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid?
The IUPAC name of 1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid (CID 110181826) is 1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid.
What is the SMILES notation for 1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid?
The canonical SMILES for 1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid is CC(C)(C)COCC(O)CNC(C)(C)C.O=C(O)C(=O)O.
What is the InChIKey of 1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid?
The InChIKey is DEVUNMKWMRFKFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2.C2H2O4/c1-11(2,3)9-15-8-10(14)7-13-12(4,5)6;3-1(4)2(5)6/h10,13-14H,7-9H2,1-6H3;(H,3,4)(H,5,6).
What are the key properties of 1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid?
1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid has a molecular weight of 307.39 g/mol, XLogP of 0.95, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(tert-butylamino)-3-(2,2-dimethylpropoxy)propan-2-ol;oxalic acid is sourced from PubChem (CID 110181826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).