N-ethyl-4-(2-methylpentan-2-yloxy)oxolan-3-amine

C12H25NO2 — CID 139506853

IUPACN-ethyl-4-(2-methylpentan-2-yloxy)oxolan-3-amine
SMILESCCCC(C)(C)OC1COCC1NCC
InChIInChI=1S/C12H25NO2/c1-5-7-12(3,4)15-11-9-14-8-10(11)13-6-2/h10-11,13H,5-9H2,1-4H3
InChIKeyCATUMMDIQGDENV-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.96
Rot. Bonds6

About N-ethyl-4-(2-methylpentan-2-yloxy)oxolan-3-amine

N-ethyl-4-(2-methylpentan-2-yloxy)oxolan-3-amine (PubChem CID 139506853) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-ethyl-4-(2-methylpentan-2-yloxy)oxolan-3-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylpentan-2-yloxy)oxolan-3-amine
PubChem CID139506853
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-ethyl-4-(2-methylpentan-2-yloxy)oxolan-3-amine
SMILESCCCC(C)(C)OC1COCC1NCC
InChIInChI=1S/C12H25NO2/c1-5-7-12(3,4)15-11-9-14-8-10(11)13-6-2/h10-11,13H,5-9H2,1-4H3
InChIKeyCATUMMDIQGDENV-UHFFFAOYSA-N
XLogP1.96
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.34
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl(((3-(propan-2-yloxy)oxolan-3-yl)methyl))amine
CID 146082573
N-ethyl-2,4-dimethyloxolan-3-amine;lawrencium
CID 22896089
2,4-dimethyl-N-propan-2-yloxolan-3-amine
CID 59729878
N-[2-(oxolan-3-yloxy)ethyl]propan-2-amine
CID 63557431
(3S,4R)-N-ethyl-4-methoxyoxolan-3-amine
CID 68084057
(2R,3R,4S)-3,4-dibutoxy-2-(butoxymethyl)-4-methylpyrrolidine
CID 70990541
(2R,3R,4R)-3,4-dibutoxy-2-(butoxymethyl)-4-methylpyrrolidine
CID 70990581
N-(2,2-dimethylpropyl)-2,2-dimethyloxolan-3-amine
CID 128515721
N-ethyl-5,5-dimethyloxolan-3-amine;molecular hydrogen
CID 143246350
N-ethyl-4-hexan-2-yloxyoxolan-3-amine
CID 156032111
N-butyl-N-methyl-4-(2-methylpentan-2-yloxy)oxolan-3-amine
CID 156032183
(4S)-4-methoxy-3-methyl-N-(3-methylpentyl)oxolan-3-amine
CID 156305346

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylpentan-2-yloxy)oxolan-3-amine?
The IUPAC name of N-ethyl-4-(2-methylpentan-2-yloxy)oxolan-3-amine (CID 139506853) is N-ethyl-4-(2-methylpentan-2-yloxy)oxolan-3-amine.
What is the SMILES notation for N-ethyl-4-(2-methylpentan-2-yloxy)oxolan-3-amine?
The canonical SMILES for N-ethyl-4-(2-methylpentan-2-yloxy)oxolan-3-amine is CCCC(C)(C)OC1COCC1NCC.
What is the InChIKey of N-ethyl-4-(2-methylpentan-2-yloxy)oxolan-3-amine?
The InChIKey is CATUMMDIQGDENV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-7-12(3,4)15-11-9-14-8-10(11)13-6-2/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-ethyl-4-(2-methylpentan-2-yloxy)oxolan-3-amine?
N-ethyl-4-(2-methylpentan-2-yloxy)oxolan-3-amine has a molecular weight of 215.34 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylpentan-2-yloxy)oxolan-3-amine is sourced from PubChem (CID 139506853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).