1-ethoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol

C13H29NO2 — CID 63934217

IUPAC1-ethoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
SMILESCCOCC(O)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-7-16-9-11(15)8-14-13(5,6)10-12(2,3)4/h11,14-15H,7-10H2,1-6H3
InChIKeyMIEAQAHGKHUBCZ-UHFFFAOYSA-N
MW231.38 g/mol
LogP2.19
Rot. Bonds7

About 1-ethoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol

1-ethoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol (PubChem CID 63934217) has the molecular formula C13H29NO2 and a molecular weight of 231.38 g/mol. Its IUPAC name is 1-ethoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-ethoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
PubChem CID63934217
Molecular FormulaC13H29NO2
Molecular Weight231.38 g/mol
Exact Mass231.22
IUPAC Name1-ethoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
SMILESCCOCC(O)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C13H29NO2/c1-7-16-9-11(15)8-14-13(5,6)10-12(2,3)4/h11,14-15H,7-10H2,1-6H3
InChIKeyMIEAQAHGKHUBCZ-UHFFFAOYSA-N
XLogP2.19
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.38
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-ethoxyethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 54940811
(2S)-1-prop-2-enoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 41300677
1-(tert-butylamino)-3-ethoxypropan-2-ol
CID 63933571
3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide
CID 104580472
ethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate
CID 103246903
(2S)-1-(1-adamantylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 41474497
1-(1-methoxypropan-2-yloxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 106989714
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
1-(2-methylbutan-2-ylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60903847
1-ethoxy-3-(propylamino)propan-2-ol
CID 15683481
1-(3,5-dimethylphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol chloride
CID 21237849
(2S)-1-(2,4-dimethylphenoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 7013004

Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
The IUPAC name of 1-ethoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol (CID 63934217) is 1-ethoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-ethoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-ethoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol is CCOCC(O)CNC(C)(C)CC(C)(C)C.
What is the InChIKey of 1-ethoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
The InChIKey is MIEAQAHGKHUBCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H29NO2/c1-7-16-9-11(15)8-14-13(5,6)10-12(2,3)4/h11,14-15H,7-10H2,1-6H3.
What are the key properties of 1-ethoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
1-ethoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol has a molecular weight of 231.38 g/mol, XLogP of 2.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol is sourced from PubChem (CID 63934217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).