1-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-(2-ethoxyethoxy)propan-2-ol

C14H32N2O3 — CID 60632580

IUPAC1-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNCC(C)(C)CN(C)C
InChIInChI=1S/C14H32N2O3/c1-6-18-7-8-19-10-13(17)9-15-11-14(2,3)12-16(4)5/h13,15,17H,6-12H2,1-5H3
InChIKeyZVQOOHPAPDCRPX-UHFFFAOYSA-N
MW276.42 g/mol
LogP0.58
Rot. Bonds12

About 1-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-(2-ethoxyethoxy)propan-2-ol

1-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-(2-ethoxyethoxy)propan-2-ol (PubChem CID 60632580) has the molecular formula C14H32N2O3 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-(2-ethoxyethoxy)propan-2-ol.

Molecular Properties

Compound Name1-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-(2-ethoxyethoxy)propan-2-ol
PubChem CID60632580
Molecular FormulaC14H32N2O3
Molecular Weight276.42 g/mol
Exact Mass276.24
IUPAC Name1-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-(2-ethoxyethoxy)propan-2-ol
SMILESCCOCCOCC(O)CNCC(C)(C)CN(C)C
InChIInChI=1S/C14H32N2O3/c1-6-18-7-8-19-10-13(17)9-15-11-14(2,3)12-16(4)5/h13,15,17H,6-12H2,1-5H3
InChIKeyZVQOOHPAPDCRPX-UHFFFAOYSA-N
XLogP0.58
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2S)-3-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]propane-1,2-diol
CID 61142642
N'-(3-ethoxypropyl)-N,N,2,2-tetramethylpropane-1,3-diamine
CID 65176530
1-(dimethylamino)-3-[[2-hydroxy-3-(2-methylpropoxy)propyl]amino]-2-methylpropan-2-ol
CID 114150038
1-(2-aminoethylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 62141108
1-butoxy-3-[(4-methoxy-2,2-dimethylbutyl)amino]propan-2-ol
CID 114125244
1-ethoxy-3-[(3-ethoxy-2-hydroxypropyl)amino]propan-2-ol
CID 139812156
1-(2-ethoxyethoxy)-3-(pentylamino)propan-2-ol
CID 60632874
1-(2-ethoxyethoxy)-3-[2-[2-methoxyethyl(methyl)amino]ethylamino]propan-2-ol
CID 62844325
3-[[(3-ethoxy-2-hydroxypropyl)amino]methyl]pentan-3-ol
CID 65111279
1-(2,3-dimethoxypropylamino)-3-(2-ethoxyethoxy)propan-2-ol
CID 114099796
1-(2-ethoxyethoxy)-3-(2,4,4-trimethylpentan-2-ylamino)propan-2-ol
CID 54940811
1-(2-ethoxyethoxy)-3-(2-methylsulfanylethylamino)propan-2-ol
CID 63965990

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-(2-ethoxyethoxy)propan-2-ol?
The IUPAC name of 1-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-(2-ethoxyethoxy)propan-2-ol (CID 60632580) is 1-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-(2-ethoxyethoxy)propan-2-ol.
What is the SMILES notation for 1-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-(2-ethoxyethoxy)propan-2-ol?
The canonical SMILES for 1-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-(2-ethoxyethoxy)propan-2-ol is CCOCCOCC(O)CNCC(C)(C)CN(C)C.
What is the InChIKey of 1-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-(2-ethoxyethoxy)propan-2-ol?
The InChIKey is ZVQOOHPAPDCRPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H32N2O3/c1-6-18-7-8-19-10-13(17)9-15-11-14(2,3)12-16(4)5/h13,15,17H,6-12H2,1-5H3.
What are the key properties of 1-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-(2-ethoxyethoxy)propan-2-ol?
1-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-(2-ethoxyethoxy)propan-2-ol has a molecular weight of 276.42 g/mol, XLogP of 0.58, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(dimethylamino)-2,2-dimethylpropyl]amino]-3-(2-ethoxyethoxy)propan-2-ol is sourced from PubChem (CID 60632580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).