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

C12H25NO2 — CID 79621620

IUPACN-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine
SMILESCCNCC(C)(C)COCC1CCCO1
InChIInChI=1S/C12H25NO2/c1-4-13-9-12(2,3)10-14-8-11-6-5-7-15-11/h11,13H,4-10H2,1-3H3
InChIKeyCNLFKAXMDZAODF-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds7

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

N-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine (PubChem CID 79621620) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine.

Molecular Properties

Compound NameN-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine
PubChem CID79621620
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine
SMILESCCNCC(C)(C)COCC1CCCO1
InChIInChI=1S/C12H25NO2/c1-4-13-9-12(2,3)10-14-8-11-6-5-7-15-11/h11,13H,4-10H2,1-3H3
InChIKeyCNLFKAXMDZAODF-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
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

N-ethyl-2,2-dimethyl-3-(oxan-2-ylmethoxy)propan-1-amine
CID 79620046
1-(ethylamino)-2-methyl-3-(oxan-2-ylmethoxy)propan-2-ol
CID 66335337
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
4,4-dimethyl-5-[3-(oxolan-2-ylmethoxy)propylamino]pentanenitrile
CID 115651726
2,2,2-trifluoro-N-[2-(oxolan-2-ylmethoxy)ethyl]ethanamine
CID 62572497
N-ethyl-5-(oxan-2-ylmethoxy)pentan-1-amine
CID 62446418
N,2-diethyl-2-methyl-4-(oxolan-2-yl)butan-1-amine
CID 65165209
2-methyl-3-(oxolan-2-ylmethoxy)-2-(propan-2-ylamino)propan-1-ol
CID 64805051

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine?
The IUPAC name of N-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine (CID 79621620) is N-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine.
What is the SMILES notation for N-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine?
The canonical SMILES for N-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine is CCNCC(C)(C)COCC1CCCO1.
What is the InChIKey of N-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine?
The InChIKey is CNLFKAXMDZAODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-4-13-9-12(2,3)10-14-8-11-6-5-7-15-11/h11,13H,4-10H2,1-3H3.
What are the key properties of N-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine?
N-ethyl-2,2-dimethyl-3-(oxolan-2-ylmethoxy)propan-1-amine has a molecular weight of 215.34 g/mol, XLogP of 1.82, 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-(oxolan-2-ylmethoxy)propan-1-amine is sourced from PubChem (CID 79621620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).