N-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine

C12H25NO2 — CID 63558838

IUPACN-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine
SMILESCCNC(COC1CCOC1)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-5-13-11(12(2,3)4)9-15-10-6-7-14-8-10/h10-11,13H,5-9H2,1-4H3
InChIKeyRONIAHWPGFDNFL-UHFFFAOYSA-N
MW215.34 g/mol
LogP1.82
Rot. Bonds5

About N-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine

N-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine (PubChem CID 63558838) has the molecular formula C12H25NO2 and a molecular weight of 215.34 g/mol. Its IUPAC name is N-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine
PubChem CID63558838
Molecular FormulaC12H25NO2
Molecular Weight215.34 g/mol
Exact Mass215.19
IUPAC NameN-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine
SMILESCCNC(COC1CCOC1)C(C)(C)C
InChIInChI=1S/C12H25NO2/c1-5-13-11(12(2,3)4)9-15-10-6-7-14-8-10/h10-11,13H,5-9H2,1-4H3
InChIKeyRONIAHWPGFDNFL-UHFFFAOYSA-N
XLogP1.82
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
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-3-methoxy-3-methyl-1-(oxan-4-yloxy)butan-2-amine
CID 114228674
N-methyl-1-(oxolan-3-yloxy)propan-2-amine
CID 63556835
N-[1-(oxolan-3-yloxy)propan-2-yl]butan-2-amine
CID 115727519
1-(tert-butylamino)-3-(oxolan-3-yloxy)propan-2-ol
CID 115476122
N-ethyl-5-(oxolan-3-yloxy)pentan-2-amine
CID 63557232
N-ethyl-1-(4-methoxyphenyl)-2-(oxolan-3-yloxy)ethanamine
CID 63557627
ethane;3-ethoxyoxolane
CID 142523367
1-cyclobutyloxy-3,3-dimethyl-N-propylbutan-2-amine
CID 62116848
N-ethyl-1-(3-methylphenyl)-2-(oxolan-3-yloxy)ethanamine
CID 55218952
(2S)-2-amino-3,3-dimethyl-N-[1-(oxolan-3-yloxy)propan-2-yl]butanamide
CID 119812763
3-(oxolan-3-yloxy)-2-(propylamino)propanoic acid
CID 63558901
2-(ethylamino)-4-(oxolan-3-yloxy)butanoic acid
CID 63558292

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine?
The IUPAC name of N-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine (CID 63558838) is N-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine.
What is the SMILES notation for N-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine?
The canonical SMILES for N-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine is CCNC(COC1CCOC1)C(C)(C)C.
What is the InChIKey of N-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine?
The InChIKey is RONIAHWPGFDNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO2/c1-5-13-11(12(2,3)4)9-15-10-6-7-14-8-10/h10-11,13H,5-9H2,1-4H3.
What are the key properties of N-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine?
N-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine has a molecular weight of 215.34 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3,3-dimethyl-1-(oxolan-3-yloxy)butan-2-amine is sourced from PubChem (CID 63558838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).