N-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine

C13H27NO2 — CID 79620046

IUPACN-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine
SMILESCCNCC(C)(C)COCC1CCCCO1
InChIInChI=1S/C13H27NO2/c1-4-14-10-13(2,3)11-15-9-12-7-5-6-8-16-12/h12,14H,4-11H2,1-3H3
InChIKeyNKGGLWCMHWWJSR-UHFFFAOYSA-N
MW229.36 g/mol
LogP2.21
Rot. Bonds7

About N-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine

N-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine (PubChem CID 79620046) has the molecular formula C13H27NO2 and a molecular weight of 229.36 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine
PubChem CID79620046
Molecular FormulaC13H27NO2
Molecular Weight229.36 g/mol
Exact Mass229.20
IUPAC NameN-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine
SMILESCCNCC(C)(C)COCC1CCCCO1
InChIInChI=1S/C13H27NO2/c1-4-14-10-13(2,3)11-15-9-12-7-5-6-8-16-12/h12,14H,4-11H2,1-3H3
InChIKeyNKGGLWCMHWWJSR-UHFFFAOYSA-N
XLogP2.21
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.36
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine
CID 79621620
1-(ethylamino)-2-methyl-3-(oxan-2-ylmethoxy)propan-2-ol
CID 66335337
N-ethyl-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62446418
2-methyl-1-(oxolan-2-ylmethoxy)-3-(propylamino)propan-2-ol
CID 66336545
N-ethyl-N',2,2-trimethyl-N'-(oxolan-2-ylmethyl)propane-1,3-diamine
CID 62260614
2,2-dimethyl-3-(oxolan-2-ylmethoxy)propane-1-sulfonyl chloride
CID 64999459
3-(oxolan-2-ylmethoxymethyl)pentan-3-amine
CID 64571645
3-(2-cyclobutylethoxy)-N-ethyl-2,2-dimethylpropan-1-amine
CID 106206190
N-ethyl-1-(oxan-2-ylmethoxy)butan-2-amine
CID 62040627
2-[[(2R)-oxan-2-yl]methoxy]ethanol
CID 91298433
N-ethyl-2-(oxan-2-yl)ethanamine
CID 62549165
2-methoxy-N-[2-(oxan-2-ylmethoxy)ethyl]ethanamine
CID 62570787

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine (CID 79620046) is N-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine is CCNCC(C)(C)COCC1CCCCO1.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine?
The InChIKey is NKGGLWCMHWWJSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO2/c1-4-14-10-13(2,3)11-15-9-12-7-5-6-8-16-12/h12,14H,4-11H2,1-3H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine?
N-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine has a molecular weight of 229.36 g/mol, XLogP of 2.21, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 79620046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).