2-(3,3-dimethylbutoxy)-N-ethyl-3-methoxypropan-1-amine

C12H27NO2 — CID 103228823

IUPAC2-(3,3-dimethylbutoxy)-N-ethyl-3-methoxypropan-1-amine
SMILESCCNCC(COC)OCCC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-6-13-9-11(10-14-5)15-8-7-12(2,3)4/h11,13H,6-10H2,1-5H3
InChIKeyDAIDBKJLAOYKSL-UHFFFAOYSA-N
MW217.35 g/mol
LogP2.06
Rot. Bonds8

About 2-(3,3-dimethylbutoxy)-N-ethyl-3-methoxypropan-1-amine

2-(3,3-dimethylbutoxy)-N-ethyl-3-methoxypropan-1-amine (PubChem CID 103228823) has the molecular formula C12H27NO2 and a molecular weight of 217.35 g/mol. Its IUPAC name is 2-(3,3-dimethylbutoxy)-N-ethyl-3-methoxypropan-1-amine.

Molecular Properties

Compound Name2-(3,3-dimethylbutoxy)-N-ethyl-3-methoxypropan-1-amine
PubChem CID103228823
Molecular FormulaC12H27NO2
Molecular Weight217.35 g/mol
Exact Mass217.20
IUPAC Name2-(3,3-dimethylbutoxy)-N-ethyl-3-methoxypropan-1-amine
SMILESCCNCC(COC)OCCC(C)(C)C
InChIInChI=1S/C12H27NO2/c1-6-13-9-11(10-14-5)15-8-7-12(2,3)4/h11,13H,6-10H2,1-5H3
InChIKeyDAIDBKJLAOYKSL-UHFFFAOYSA-N
XLogP2.06
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.35
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-methoxy-2-pentoxypropan-1-amine
CID 103228001
2-(2-cyclobutylethoxy)-N-ethyl-3-methoxypropan-1-amine
CID 106206168
2-(3,3-dimethylbutoxy)-3-methoxypropan-1-amine
CID 103228824
N-ethyl-2-(2-methoxyethoxy)butan-1-amine
CID 62457499
N-ethyl-2-(3,3,3-trifluoropropoxy)butan-1-amine
CID 82958415
N-ethyl-3-methoxy-2-(2-thiophen-2-ylethoxy)propan-1-amine
CID 103228622
N-(2-ethoxy-3-methoxypropyl)-2-methylpropan-2-amine
CID 103227770
2-hexoxy-3-methoxy-N-propylpropan-1-amine
CID 103227913
2-(2-cyclopropylethoxy)-N-ethylpentan-1-amine
CID 106205949
1,2-dimethoxy-5,5-dimethylhexane
CID 154608131
3-(ethylamino)-2-methoxypropan-1-ol
CID 135215408
N-[2-[2-(diethylamino)ethoxy]-3-methoxypropyl]-2-methylpropan-1-amine
CID 103228309

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethylbutoxy)-N-ethyl-3-methoxypropan-1-amine?
The IUPAC name of 2-(3,3-dimethylbutoxy)-N-ethyl-3-methoxypropan-1-amine (CID 103228823) is 2-(3,3-dimethylbutoxy)-N-ethyl-3-methoxypropan-1-amine.
What is the SMILES notation for 2-(3,3-dimethylbutoxy)-N-ethyl-3-methoxypropan-1-amine?
The canonical SMILES for 2-(3,3-dimethylbutoxy)-N-ethyl-3-methoxypropan-1-amine is CCNCC(COC)OCCC(C)(C)C.
What is the InChIKey of 2-(3,3-dimethylbutoxy)-N-ethyl-3-methoxypropan-1-amine?
The InChIKey is DAIDBKJLAOYKSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27NO2/c1-6-13-9-11(10-14-5)15-8-7-12(2,3)4/h11,13H,6-10H2,1-5H3.
What are the key properties of 2-(3,3-dimethylbutoxy)-N-ethyl-3-methoxypropan-1-amine?
2-(3,3-dimethylbutoxy)-N-ethyl-3-methoxypropan-1-amine has a molecular weight of 217.35 g/mol, XLogP of 2.06, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethylbutoxy)-N-ethyl-3-methoxypropan-1-amine is sourced from PubChem (CID 103228823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).