N-ethyl-2-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

C16H33NO2 — CID 114623518

IUPACN-ethyl-2-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCCNC(C(OC)C(C)C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H33NO2/c1-9-17-13(14(18-8)11(2)3)12-10-15(4,5)19-16(12,6)7/h11-14,17H,9-10H2,1-8H3
InChIKeyTZPHQDUNBBAAGL-UHFFFAOYSA-N
MW271.44 g/mol
LogP3.23
Rot. Bonds6

About N-ethyl-2-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine

N-ethyl-2-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (PubChem CID 114623518) has the molecular formula C16H33NO2 and a molecular weight of 271.44 g/mol. Its IUPAC name is N-ethyl-2-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.

Molecular Properties

Compound NameN-ethyl-2-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
PubChem CID114623518
Molecular FormulaC16H33NO2
Molecular Weight271.44 g/mol
Exact Mass271.25
IUPAC NameN-ethyl-2-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
SMILESCCNC(C(OC)C(C)C)C1CC(C)(C)OC1(C)C
InChIInChI=1S/C16H33NO2/c1-9-17-13(14(18-8)11(2)3)12-10-15(4,5)19-16(12,6)7/h11-14,17H,9-10H2,1-8H3
InChIKeyTZPHQDUNBBAAGL-UHFFFAOYSA-N
XLogP3.23
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.44
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethoxy-N-ethyl-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
CID 114623537
2-methoxy-3,3-dimethyl-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
CID 114623534
[2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)propyl]hydrazine
CID 105247064
[2-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butyl]hydrazine
CID 105270810
2-ethoxy-N-propyl-1-(2,2,5,5-tetramethyloxolan-3-yl)propan-1-amine
CID 114623082
N-[(2-methylcyclopropyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 114623182
2-ethoxy-N,3,3-trimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine
CID 114623536
[2-ethoxy-3,3-dimethyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butyl]hydrazine
CID 105273857
N-[cyclohexyl-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 114622881
[3-methoxy-1-(2,2,5,5-tetramethyloxolan-3-yl)butyl]hydrazine
CID 105267184
1-(2,2-dimethylcyclopropyl)-N-ethyl-2-methylpropan-1-amine
CID 107004101
N-[(2,2-dimethylcyclopentyl)-(2,2,5,5-tetramethyloxolan-3-yl)methyl]ethanamine
CID 107191420

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The IUPAC name of N-ethyl-2-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine (CID 114623518) is N-ethyl-2-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine.
What is the SMILES notation for N-ethyl-2-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The canonical SMILES for N-ethyl-2-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is CCNC(C(OC)C(C)C)C1CC(C)(C)OC1(C)C.
What is the InChIKey of N-ethyl-2-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
The InChIKey is TZPHQDUNBBAAGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33NO2/c1-9-17-13(14(18-8)11(2)3)12-10-15(4,5)19-16(12,6)7/h11-14,17H,9-10H2,1-8H3.
What are the key properties of N-ethyl-2-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine?
N-ethyl-2-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine has a molecular weight of 271.44 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-methoxy-3-methyl-1-(2,2,5,5-tetramethyloxolan-3-yl)butan-1-amine is sourced from PubChem (CID 114623518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).