N-ethyl-3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine

C12H25NO2 — CID 103027190

IUPACN-ethyl-3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine
SMILESCCNC(CC(C)(C)OC)C1CCOC1
InChIInChI=1S/C12H25NO2/c1-5-13-11(8-12(2,3)14-4)10-6-7-15-9-10/h10-11,13H,5-9H2,1-4H3
InChIKeyZLPIOHFTFAHQLP-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds6

About N-ethyl-3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine

N-ethyl-3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine (PubChem CID 103027190) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-ethyl-3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine
PubChem CID103027190
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-ethyl-3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine
SMILESCCNC(CC(C)(C)OC)C1CCOC1
InChIInChI=1S/C12H25NO2/c1-5-13-11(8-12(2,3)14-4)10-6-7-15-9-10/h10-11,13H,5-9H2,1-4H3
InChIKeyZLPIOHFTFAHQLP-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

CID 103027181
CID 103027181
CID 103027183
CID 103027183
CID 103027188
CID 103027188
CID 103027189
CID 103027189
CID 103027191
CID 103027191
CID 103029405
CID 103029405
CID 103029407
CID 103029407
CID 103029408
CID 103029408
CID 103029490
CID 103029490
CID 103029491
CID 103029491
CID 103029492
CID 103029492
CID 103029493
CID 103029493

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine (CID 103027190) is N-ethyl-3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine is CCNC(CC(C)(C)OC)C1CCOC1.
What is the InChIKey of N-ethyl-3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine?
The InChIKey is ZLPIOHFTFAHQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-13-11(8-12(2,3)14-4)10-6-7-15-9-10/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-ethyl-3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine?
N-ethyl-3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.82, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-3-methyl-1-(oxolan-3-yl)butan-1-amine is sourced from PubChem (CID 103027190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).