N,N-dimethyl-2-(2,2,3,3-tetramethylbutoxy)ethanamine

C12H27NO — CID 159941640

IUPACN,N-dimethyl-2-(2,2,3,3-tetramethylbutoxy)ethanamine
SMILESCN(C)CCOCC(C)(C)C(C)(C)C
InChIInChI=1S/C12H27NO/c1-11(2,3)12(4,5)10-14-9-8-13(6)7/h8-10H2,1-7H3
InChIKeyPMDVMRJCWQXKNS-UHFFFAOYSA-N
MW201.35 g/mol
LogP2.64
Rot. Bonds5

About N,N-dimethyl-2-(2,2,3,3-tetramethylbutoxy)ethanamine

N,N-dimethyl-2-(2,2,3,3-tetramethylbutoxy)ethanamine (PubChem CID 159941640) has the molecular formula C12H27NO and a molecular weight of 201.35 g/mol. Its IUPAC name is N,N-dimethyl-2-(2,2,3,3-tetramethylbutoxy)ethanamine.

Molecular Properties

Compound NameN,N-dimethyl-2-(2,2,3,3-tetramethylbutoxy)ethanamine
PubChem CID159941640
Molecular FormulaC12H27NO
Molecular Weight201.35 g/mol
Exact Mass201.21
IUPAC NameN,N-dimethyl-2-(2,2,3,3-tetramethylbutoxy)ethanamine
SMILESCN(C)CCOCC(C)(C)C(C)(C)C
InChIInChI=1S/C12H27NO/c1-11(2,3)12(4,5)10-14-9-8-13(6)7/h8-10H2,1-7H3
InChIKeyPMDVMRJCWQXKNS-UHFFFAOYSA-N
XLogP2.64
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.35
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(dimethylamino)ethoxy]ethoxy]-N,N-dimethylethanamine;ethane
CID 168987783
2-[2-(dimethylamino)ethoxy]ethanolate
CID 23295259
2-[2-(dimethylamino)ethoxy]ethanol
CID 158737336
2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethanamine
CID 58108235
2-[2-(dimethylamino)ethoxy]ethyl hypoiodite
CID 138660148
N-[2-[2-(dimethylamino)ethoxy]ethyl]-N-methylpropan-2-amine
CID 170129105
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(dimethylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 154730088
2-(2-chloroethoxy)-N,N-dimethylethanamine;hydrochloride
CID 71756551
2-[(2-amino-2-methylpropyl)-methylamino]ethanol;2-[2-(dimethylamino)ethoxy]ethanol
CID 135210797
1-[2-(dimethylamino)ethoxy]-5,5-dimethylhexan-3-one
CID 58409031
N-benzyl-3-[2-(dimethylamino)ethoxy]-2,2-dimethylpropan-1-amine
CID 112568841
2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]-N,N-dimethylethanamine
CID 150469867

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(2,2,3,3-tetramethylbutoxy)ethanamine?
The IUPAC name of N,N-dimethyl-2-(2,2,3,3-tetramethylbutoxy)ethanamine (CID 159941640) is N,N-dimethyl-2-(2,2,3,3-tetramethylbutoxy)ethanamine.
What is the SMILES notation for N,N-dimethyl-2-(2,2,3,3-tetramethylbutoxy)ethanamine?
The canonical SMILES for N,N-dimethyl-2-(2,2,3,3-tetramethylbutoxy)ethanamine is CN(C)CCOCC(C)(C)C(C)(C)C.
What is the InChIKey of N,N-dimethyl-2-(2,2,3,3-tetramethylbutoxy)ethanamine?
The InChIKey is PMDVMRJCWQXKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO/c1-11(2,3)12(4,5)10-14-9-8-13(6)7/h8-10H2,1-7H3.
What are the key properties of N,N-dimethyl-2-(2,2,3,3-tetramethylbutoxy)ethanamine?
N,N-dimethyl-2-(2,2,3,3-tetramethylbutoxy)ethanamine has a molecular weight of 201.35 g/mol, XLogP of 2.64, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(2,2,3,3-tetramethylbutoxy)ethanamine is sourced from PubChem (CID 159941640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).