4-[[1-cyclopropylethyl(methyl)amino]methyl]-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine

C17H34N2O — CID 79933657

IUPAC4-[[1-cyclopropylethyl(methyl)amino]methyl]-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCNC1C(CN(C)C(C)C2CC2)C(C)(C)OC1(C)C
InChIInChI=1S/C17H34N2O/c1-8-18-15-14(16(3,4)20-17(15,5)6)11-19(7)12(2)13-9-10-13/h12-15,18H,8-11H2,1-7H3
InChIKeyKUKVABVGFBMGPS-UHFFFAOYSA-N
MW282.47 g/mol
LogP2.90
Rot. Bonds6

About 4-[[1-cyclopropylethyl(methyl)amino]methyl]-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine

4-[[1-cyclopropylethyl(methyl)amino]methyl]-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine (PubChem CID 79933657) has the molecular formula C17H34N2O and a molecular weight of 282.47 g/mol. Its IUPAC name is 4-[[1-cyclopropylethyl(methyl)amino]methyl]-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine.

Molecular Properties

Compound Name4-[[1-cyclopropylethyl(methyl)amino]methyl]-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine
PubChem CID79933657
Molecular FormulaC17H34N2O
Molecular Weight282.47 g/mol
Exact Mass282.27
IUPAC Name4-[[1-cyclopropylethyl(methyl)amino]methyl]-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine
SMILESCCNC1C(CN(C)C(C)C2CC2)C(C)(C)OC1(C)C
InChIInChI=1S/C17H34N2O/c1-8-18-15-14(16(3,4)20-17(15,5)6)11-19(7)12(2)13-9-10-13/h12-15,18H,8-11H2,1-7H3
InChIKeyKUKVABVGFBMGPS-UHFFFAOYSA-N
XLogP2.90
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.47
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[1-cyclopropylethyl(methyl)amino]methyl]-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine?
The IUPAC name of 4-[[1-cyclopropylethyl(methyl)amino]methyl]-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine (CID 79933657) is 4-[[1-cyclopropylethyl(methyl)amino]methyl]-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine.
What is the SMILES notation for 4-[[1-cyclopropylethyl(methyl)amino]methyl]-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine?
The canonical SMILES for 4-[[1-cyclopropylethyl(methyl)amino]methyl]-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine is CCNC1C(CN(C)C(C)C2CC2)C(C)(C)OC1(C)C.
What is the InChIKey of 4-[[1-cyclopropylethyl(methyl)amino]methyl]-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine?
The InChIKey is KUKVABVGFBMGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34N2O/c1-8-18-15-14(16(3,4)20-17(15,5)6)11-19(7)12(2)13-9-10-13/h12-15,18H,8-11H2,1-7H3.
What are the key properties of 4-[[1-cyclopropylethyl(methyl)amino]methyl]-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine?
4-[[1-cyclopropylethyl(methyl)amino]methyl]-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine has a molecular weight of 282.47 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-cyclopropylethyl(methyl)amino]methyl]-N-ethyl-2,2,5,5-tetramethyloxolan-3-amine is sourced from PubChem (CID 79933657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).