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

C15H33NO3 — CID 54940811

IUPAC1-(2-ethoxyethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
SMILESCCOCCOCC(O)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C15H33NO3/c1-7-18-8-9-19-11-13(17)10-16-15(5,6)12-14(2,3)4/h13,16-17H,7-12H2,1-6H3
InChIKeyBZVSKWMFBCUGCW-UHFFFAOYSA-N
MW275.43 g/mol
LogP2.20
Rot. Bonds10

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

1-(2-ethoxyethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol (PubChem CID 54940811) has the molecular formula C15H33NO3 and a molecular weight of 275.43 g/mol. Its IUPAC name is 1-(2-ethoxyethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol.

Molecular Properties

Compound Name1-(2-ethoxyethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
PubChem CID54940811
Molecular FormulaC15H33NO3
Molecular Weight275.43 g/mol
Exact Mass275.25
IUPAC Name1-(2-ethoxyethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
SMILESCCOCCOCC(O)CNC(C)(C)CC(C)(C)C
InChIInChI=1S/C15H33NO3/c1-7-18-8-9-19-11-13(17)10-16-15(5,6)12-14(2,3)4/h13,16-17H,7-12H2,1-6H3
InChIKeyBZVSKWMFBCUGCW-UHFFFAOYSA-N
XLogP2.20
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.43
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-ethoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 63934217
(2S)-1-prop-2-enoxy-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 41300677
1-(2-cyclopropylpropan-2-ylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 104577915
1-(tert-butylamino)-3-ethoxypropan-2-ol
CID 63933571
1-(1-methoxypropan-2-yloxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 106989714
ethyl 3-hydroxy-4-(2,4,4-trimethylpentan-2-ylamino)butanoate
CID 103246903
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
(2S)-1-(1-adamantylmethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 41474497
3-[(3-ethoxy-2-hydroxypropyl)amino]-3-methylbutanamide
CID 104580472
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
1-(2-methylbutan-2-ylamino)-3-(2-methylpropoxy)propan-2-ol
CID 60903847
1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965990

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethoxyethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
The IUPAC name of 1-(2-ethoxyethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol (CID 54940811) is 1-(2-ethoxyethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol.
What is the SMILES notation for 1-(2-ethoxyethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
The canonical SMILES for 1-(2-ethoxyethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol is CCOCCOCC(O)CNC(C)(C)CC(C)(C)C.
What is the InChIKey of 1-(2-ethoxyethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
The InChIKey is BZVSKWMFBCUGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33NO3/c1-7-18-8-9-19-11-13(17)10-16-15(5,6)12-14(2,3)4/h13,16-17H,7-12H2,1-6H3.
What are the key properties of 1-(2-ethoxyethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol?
1-(2-ethoxyethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol has a molecular weight of 275.43 g/mol, XLogP of 2.20, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethoxyethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol is sourced from PubChem (CID 54940811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).