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

C18H36N2O — CID 79913336

IUPAC4-[[1-cyclopropylethyl(methyl)amino]methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine
SMILESCCCNC1C(CN(C)C(C)C2CC2)C(C)(C)OC1(C)C
InChIInChI=1S/C18H36N2O/c1-8-11-19-16-15(17(3,4)21-18(16,5)6)12-20(7)13(2)14-9-10-14/h13-16,19H,8-12H2,1-7H3
InChIKeyVTUCIDRKPYXICJ-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.29
Rot. Bonds7

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

4-[[1-cyclopropylethyl(methyl)amino]methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine (PubChem CID 79913336) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 4-[[1-cyclopropylethyl(methyl)amino]methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine.

Molecular Properties

Compound Name4-[[1-cyclopropylethyl(methyl)amino]methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine
PubChem CID79913336
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name4-[[1-cyclopropylethyl(methyl)amino]methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine
SMILESCCCNC1C(CN(C)C(C)C2CC2)C(C)(C)OC1(C)C
InChIInChI=1S/C18H36N2O/c1-8-11-19-16-15(17(3,4)21-18(16,5)6)12-20(7)13(2)14-9-10-14/h13-16,19H,8-12H2,1-7H3
InChIKeyVTUCIDRKPYXICJ-UHFFFAOYSA-N
XLogP3.29
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.29
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]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine?
The IUPAC name of 4-[[1-cyclopropylethyl(methyl)amino]methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine (CID 79913336) is 4-[[1-cyclopropylethyl(methyl)amino]methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine.
What is the SMILES notation for 4-[[1-cyclopropylethyl(methyl)amino]methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine?
The canonical SMILES for 4-[[1-cyclopropylethyl(methyl)amino]methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine is CCCNC1C(CN(C)C(C)C2CC2)C(C)(C)OC1(C)C.
What is the InChIKey of 4-[[1-cyclopropylethyl(methyl)amino]methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine?
The InChIKey is VTUCIDRKPYXICJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-8-11-19-16-15(17(3,4)21-18(16,5)6)12-20(7)13(2)14-9-10-14/h13-16,19H,8-12H2,1-7H3.
What are the key properties of 4-[[1-cyclopropylethyl(methyl)amino]methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine?
4-[[1-cyclopropylethyl(methyl)amino]methyl]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine has a molecular weight of 296.50 g/mol, XLogP of 3.29, 7 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]-2,2,5,5-tetramethyl-N-propyloxolan-3-amine is sourced from PubChem (CID 79913336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).