2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol

C13H30N2O2 — CID 114243028

IUPAC2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol
SMILESCN(CCCCC(C)(C)CN)CCOCCO
InChIInChI=1S/C13H30N2O2/c1-13(2,12-14)6-4-5-7-15(3)8-10-17-11-9-16/h16H,4-12,14H2,1-3H3
InChIKeyMZKYUNUERMTXMQ-UHFFFAOYSA-N
MW246.39 g/mol
LogP1.08
Rot. Bonds11

About 2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol

2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol (PubChem CID 114243028) has the molecular formula C13H30N2O2 and a molecular weight of 246.39 g/mol. Its IUPAC name is 2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol
PubChem CID114243028
Molecular FormulaC13H30N2O2
Molecular Weight246.39 g/mol
Exact Mass246.23
IUPAC Name2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol
SMILESCN(CCCCC(C)(C)CN)CCOCCO
InChIInChI=1S/C13H30N2O2/c1-13(2,12-14)6-4-5-7-15(3)8-10-17-11-9-16/h16H,4-12,14H2,1-3H3
InChIKeyMZKYUNUERMTXMQ-UHFFFAOYSA-N
XLogP1.08
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 51.08
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

N'-(2-methoxyethyl)-N',2,2-trimethylpentane-1,5-diamine
CID 65254418
ethane;2-[2-[methyl(octyl)amino]ethoxy]ethanol
CID 156751317
1-[(6-amino-5,5-dimethylhexyl)-methylamino]-2-methylpropan-2-ol
CID 106708171
1-[(6-amino-5,5-dimethylhexyl)-methylamino]propan-2-ol
CID 106708066
N'-[3-(dimethylamino)propyl]-N',2,2-trimethylbutane-1,4-diamine
CID 65247113
N',2,2-trimethyl-N'-propylpentane-1,5-diamine
CID 65254018
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(dimethylamino)ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethyl-methylamino]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 89226278
6-[2-ethoxyethyl(methyl)amino]-2-(ethylamino)-2-methylhexan-1-ol
CID 81065078
N',N'-bis(2-methoxyethyl)-2,2-dimethylhexane-1,6-diamine
CID 106707937
N',2,2-trimethyl-N'-propylbutane-1,4-diamine
CID 65246982
2-[(6-amino-5,5-dimethylhexyl)-cyclohexylamino]ethanol
CID 106708020
2-[2-[methyl(2,2,2-trifluoroethyl)amino]ethoxy]ethanol
CID 61072006

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol?
The IUPAC name of 2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol (CID 114243028) is 2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol?
The canonical SMILES for 2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol is CN(CCCCC(C)(C)CN)CCOCCO.
What is the InChIKey of 2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol?
The InChIKey is MZKYUNUERMTXMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H30N2O2/c1-13(2,12-14)6-4-5-7-15(3)8-10-17-11-9-16/h16H,4-12,14H2,1-3H3.
What are the key properties of 2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol?
2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol has a molecular weight of 246.39 g/mol, XLogP of 1.08, 11 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(6-amino-5,5-dimethylhexyl)-methylamino]ethoxy]ethanol is sourced from PubChem (CID 114243028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).