1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol

C12H27NO3 — CID 106292529

IUPAC1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCC(OCC)OCC
InChIInChI=1S/C12H27NO3/c1-5-8-12(4,14)10-13-9-11(15-6-2)16-7-3/h11,13-14H,5-10H2,1-4H3
InChIKeyCEJFXDBASTYTPA-UHFFFAOYSA-N
MW233.35 g/mol
LogP1.53
Rot. Bonds10

About 1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol

1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol (PubChem CID 106292529) has the molecular formula C12H27NO3 and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol
PubChem CID106292529
Molecular FormulaC12H27NO3
Molecular Weight233.35 g/mol
Exact Mass233.20
IUPAC Name1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCC(OCC)OCC
InChIInChI=1S/C12H27NO3/c1-5-8-12(4,14)10-13-9-11(15-6-2)16-7-3/h11,13-14H,5-10H2,1-4H3
InChIKeyCEJFXDBASTYTPA-UHFFFAOYSA-N
XLogP1.53
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(2,2-diethoxyethylamino)-2-methylbutan-2-ol
CID 81093278
2-amino-3-[(2-hydroxy-2-methylpentyl)amino]propanamide
CID 106294471
1-[[2-(aminomethyl)-3-methylbutyl]amino]-2-methylpentan-2-ol
CID 106291003
1-(2,2-dimethoxyethylamino)-2-methylbutan-2-ol
CID 65107941
1-[[3-(diethylamino)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
CID 114169381
2-methyl-1-[2-[(2-methylpropan-2-yl)oxy]ethylamino]pentan-2-ol
CID 106292488
1-[(3-cyclohexyloxy-2-hydroxypropyl)amino]-2-methylpentan-2-ol
CID 106292600
2-methyl-1-(3,3,3-trifluoropropylamino)pentan-2-ol
CID 106292541
N-(2,2-diethoxyethyl)-3,3,3-trifluoropropan-1-amine
CID 78914464
1-[[3-(2-ethylhexoxy)-2-hydroxypropyl]amino]-2-methylpentan-2-ol
CID 106293040
1-[[2-hydroxy-2-[4-(trifluoromethyl)phenyl]ethyl]amino]-2-methylpentan-2-ol
CID 106292709
2-methyl-1-(2-propan-2-ylsulfonylethylamino)pentan-2-ol
CID 106293022

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol?
The IUPAC name of 1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol (CID 106292529) is 1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol.
What is the SMILES notation for 1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol?
The canonical SMILES for 1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol is CCCC(C)(O)CNCC(OCC)OCC.
What is the InChIKey of 1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol?
The InChIKey is CEJFXDBASTYTPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO3/c1-5-8-12(4,14)10-13-9-11(15-6-2)16-7-3/h11,13-14H,5-10H2,1-4H3.
What are the key properties of 1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol?
1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol has a molecular weight of 233.35 g/mol, XLogP of 1.53, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-diethoxyethylamino)-2-methylpentan-2-ol is sourced from PubChem (CID 106292529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).