N-ethyl-3-methoxy-3-methyl-1-(oxan-4-yloxy)butan-2-amine

C13H27NO3 — CID 114228674

IUPACN-ethyl-3-methoxy-3-methyl-1-(oxan-4-yloxy)butan-2-amine
SMILESCCNC(COC1CCOCC1)C(C)(C)OC
InChIInChI=1S/C13H27NO3/c1-5-14-12(13(2,3)15-4)10-17-11-6-8-16-9-7-11/h11-12,14H,5-10H2,1-4H3
InChIKeyJKDBEWSNFPBUQQ-UHFFFAOYSA-N
MW245.36 g/mol
LogP1.59
Rot. Bonds7

About N-ethyl-3-methoxy-3-methyl-1-(oxan-4-yloxy)butan-2-amine

N-ethyl-3-methoxy-3-methyl-1-(oxan-4-yloxy)butan-2-amine (PubChem CID 114228674) has the molecular formula C13H27NO3 and a molecular weight of 245.36 g/mol. Its IUPAC name is N-ethyl-3-methoxy-3-methyl-1-(oxan-4-yloxy)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-methoxy-3-methyl-1-(oxan-4-yloxy)butan-2-amine
PubChem CID114228674
Molecular FormulaC13H27NO3
Molecular Weight245.36 g/mol
Exact Mass245.20
IUPAC NameN-ethyl-3-methoxy-3-methyl-1-(oxan-4-yloxy)butan-2-amine
SMILESCCNC(COC1CCOCC1)C(C)(C)OC
InChIInChI=1S/C13H27NO3/c1-5-14-12(13(2,3)15-4)10-17-11-6-8-16-9-7-11/h11-12,14H,5-10H2,1-4H3
InChIKeyJKDBEWSNFPBUQQ-UHFFFAOYSA-N
XLogP1.59
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.36
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine
CID 63558838
N-ethyl-1-(oxan-4-yloxy)pentan-2-amine
CID 62043214
1-cyclopentyl-N-ethyl-2-(oxan-4-yloxy)ethanamine
CID 113448631
1-cyclopropyl-N-ethyl-4-methoxy-4-methylpentan-3-amine
CID 79197921
1-cyclopentyl-N-ethyl-3-methoxy-3-methylbutan-2-amine
CID 79197910
N-ethyl-1-(2-ethylbutoxy)-3-methoxy-3-methylbutan-2-amine
CID 114228714
4-(2,2-diethoxyethoxy)oxane
CID 63627894
1-cyclobutyloxy-3,3-dimethyl-N-propylbutan-2-amine
CID 62116848
1,1-diethoxy-3-(oxan-4-yloxy)propan-2-ol
CID 164530106
N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine
CID 63557627
2-(ethylamino)-2-methyl-4-(oxan-4-yloxy)butan-1-ol
CID 64810792
2-(oxan-4-yloxy)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 107523475

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(oxan-4-yloxy)butan-2-amine?
The IUPAC name of N-ethyl-3-methoxy-3-methyl-1-(oxan-4-yloxy)butan-2-amine (CID 114228674) is N-ethyl-3-methoxy-3-methyl-1-(oxan-4-yloxy)butan-2-amine.
What is the SMILES notation for N-ethyl-3-methoxy-3-methyl-1-(oxan-4-yloxy)butan-2-amine?
The canonical SMILES for N-ethyl-3-methoxy-3-methyl-1-(oxan-4-yloxy)butan-2-amine is CCNC(COC1CCOCC1)C(C)(C)OC.
What is the InChIKey of N-ethyl-3-methoxy-3-methyl-1-(oxan-4-yloxy)butan-2-amine?
The InChIKey is JKDBEWSNFPBUQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO3/c1-5-14-12(13(2,3)15-4)10-17-11-6-8-16-9-7-11/h11-12,14H,5-10H2,1-4H3.
What are the key properties of N-ethyl-3-methoxy-3-methyl-1-(oxan-4-yloxy)butan-2-amine?
N-ethyl-3-methoxy-3-methyl-1-(oxan-4-yloxy)butan-2-amine has a molecular weight of 245.36 g/mol, XLogP of 1.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-methoxy-3-methyl-1-(oxan-4-yloxy)butan-2-amine is sourced from PubChem (CID 114228674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).