N-ethyl-1-(2-ethylhexoxy)-3,3-dimethylbutan-2-amine

C16H35NO — CID 55192880

IUPACN-ethyl-1-(2-ethylhexoxy)-3,3-dimethylbutan-2-amine
SMILESCCCCC(CC)COCC(NCC)C(C)(C)C
InChIInChI=1S/C16H35NO/c1-7-10-11-14(8-2)12-18-13-15(17-9-3)16(4,5)6/h14-15,17H,7-13H2,1-6H3
InChIKeyOMRMNHWUQSZGEH-UHFFFAOYSA-N
MW257.46 g/mol
LogP4.24
Rot. Bonds10

About N-ethyl-1-(2-ethylhexoxy)-3,3-dimethylbutan-2-amine

N-ethyl-1-(2-ethylhexoxy)-3,3-dimethylbutan-2-amine (PubChem CID 55192880) has the molecular formula C16H35NO and a molecular weight of 257.46 g/mol. Its IUPAC name is N-ethyl-1-(2-ethylhexoxy)-3,3-dimethylbutan-2-amine.

Molecular Properties

Compound NameN-ethyl-1-(2-ethylhexoxy)-3,3-dimethylbutan-2-amine
PubChem CID55192880
Molecular FormulaC16H35NO
Molecular Weight257.46 g/mol
Exact Mass257.27
IUPAC NameN-ethyl-1-(2-ethylhexoxy)-3,3-dimethylbutan-2-amine
SMILESCCCCC(CC)COCC(NCC)C(C)(C)C
InChIInChI=1S/C16H35NO/c1-7-10-11-14(8-2)12-18-13-15(17-9-3)16(4,5)6/h14-15,17H,7-13H2,1-6H3
InChIKeyOMRMNHWUQSZGEH-UHFFFAOYSA-N
XLogP4.24
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.46
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-3-[[(2R)-2-ethylhexoxy]methyl]heptane
CID 91827254
3-(2-ethylhexoxymethyl)heptane;titanium
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2-ethylhexoxymethanol
CID 18783221
7-(2-ethylhexoxymethyl)pentadecane
CID 134599291
bis(3-(2-ethylhexoxymethyl)heptane);2-ethylhexyl(methyl)tin
CID 87392614
N-ethyl-1-(2-ethylbutoxy)-3-methoxy-3-methylbutan-2-amine
CID 114228714
1-(2-ethylhexoxy)-2-methylpropan-2-amine
CID 64535798
2-(ethylamino)-4-(2-ethylhexoxy)-2-methylbutan-1-ol
CID 64804208
1-(ethylamino)-3-(2-ethylhexoxy)-2-methylpropan-2-ol
CID 66335346
CID 88753128
CID 88753128
3-(2-ethylhexoxymethyl)heptane;sulfuric acid
CID 158892340
3-(2,2-dimethylpentoxymethyl)heptane
CID 137419140

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-(2-ethylhexoxy)-3,3-dimethylbutan-2-amine?
The IUPAC name of N-ethyl-1-(2-ethylhexoxy)-3,3-dimethylbutan-2-amine (CID 55192880) is N-ethyl-1-(2-ethylhexoxy)-3,3-dimethylbutan-2-amine.
What is the SMILES notation for N-ethyl-1-(2-ethylhexoxy)-3,3-dimethylbutan-2-amine?
The canonical SMILES for N-ethyl-1-(2-ethylhexoxy)-3,3-dimethylbutan-2-amine is CCCCC(CC)COCC(NCC)C(C)(C)C.
What is the InChIKey of N-ethyl-1-(2-ethylhexoxy)-3,3-dimethylbutan-2-amine?
The InChIKey is OMRMNHWUQSZGEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H35NO/c1-7-10-11-14(8-2)12-18-13-15(17-9-3)16(4,5)6/h14-15,17H,7-13H2,1-6H3.
What are the key properties of N-ethyl-1-(2-ethylhexoxy)-3,3-dimethylbutan-2-amine?
N-ethyl-1-(2-ethylhexoxy)-3,3-dimethylbutan-2-amine has a molecular weight of 257.46 g/mol, XLogP of 4.24, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-(2-ethylhexoxy)-3,3-dimethylbutan-2-amine is sourced from PubChem (CID 55192880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).