N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine

C12H27NO2 — CID 112589696

IUPACN,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine
SMILESCCC(C)(CNC)OCCOC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-7-12(5,10-13-6)15-9-8-14-11(2,3)4/h13H,7-10H2,1-6H3
InChIKeyNTMCFEZALJSGIB-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.21
Rot. Bonds7

About N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine

N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine (PubChem CID 112589696) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine.

Molecular Properties

Compound NameN,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine
PubChem CID112589696
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC NameN,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine
SMILESCCC(C)(CNC)OCCOC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-7-12(5,10-13-6)15-9-8-14-11(2,3)4/h13H,7-10H2,1-6H3
InChIKeyNTMCFEZALJSGIB-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(2-butoxyethoxy)ethoxy]ethoxy]-N,2-dimethylbutan-1-amine
CID 104566510
2-hexoxy-N,2-dimethylbutan-1-amine
CID 62354031
2-ethyl-N-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]hexan-1-amine
CID 112591499
3-methoxy-3-methyl-1-[(2-methylpropan-2-yl)oxy]pentane
CID 123257231
2-[(4-chlorophenyl)methoxy]-N,2-dimethylbutan-1-amine
CID 65125736
2-methyl-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propane
CID 134597159
N-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethoxy]propan-1-amine
CID 112587414
N-ethyl-2-hexoxy-2-methylbutan-1-amine
CID 62354032
2-ethoxy-4,4,4-trifluoro-N,2-dimethylbutan-1-amine
CID 105452014
methane;tris(2-methyl-2-propoxypropane)
CID 160767059
2,2-difluoro-N-methyl-3-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 165462395
N-methyl-1-[1-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexyl]methanamine
CID 112591475

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine?
The IUPAC name of N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine (CID 112589696) is N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine.
What is the SMILES notation for N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine?
The canonical SMILES for N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine is CCC(C)(CNC)OCCOC(C)(C)C.
What is the InChIKey of N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine?
The InChIKey is NTMCFEZALJSGIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-7-12(5,10-13-6)15-9-8-14-11(2,3)4/h13H,7-10H2,1-6H3.
What are the key properties of N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine?
N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]butan-1-amine is sourced from PubChem (CID 112589696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).