1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]-N,N-diethylpyrrolidin-3-amine

C17H35N3O — CID 79911235

IUPAC1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C2(CN)CC(C)(C)OC2(C)C)C1
InChIInChI=1S/C17H35N3O/c1-7-19(8-2)14-9-10-20(11-14)17(13-18)12-15(3,4)21-16(17,5)6/h14H,7-13,18H2,1-6H3
InChIKeyMAHVICCFAXUMAL-UHFFFAOYSA-N
MW297.49 g/mol
LogP2.08
Rot. Bonds5

About 1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]-N,N-diethylpyrrolidin-3-amine

1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]-N,N-diethylpyrrolidin-3-amine (PubChem CID 79911235) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]-N,N-diethylpyrrolidin-3-amine.

Molecular Properties

Compound Name1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]-N,N-diethylpyrrolidin-3-amine
PubChem CID79911235
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]-N,N-diethylpyrrolidin-3-amine
SMILESCCN(CC)C1CCN(C2(CN)CC(C)(C)OC2(C)C)C1
InChIInChI=1S/C17H35N3O/c1-7-19(8-2)14-9-10-20(11-14)17(13-18)12-15(3,4)21-16(17,5)6/h14H,7-13,18H2,1-6H3
InChIKeyMAHVICCFAXUMAL-UHFFFAOYSA-N
XLogP2.08
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]-N,N-diethylpyrrolidin-3-amine?
The IUPAC name of 1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]-N,N-diethylpyrrolidin-3-amine (CID 79911235) is 1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]-N,N-diethylpyrrolidin-3-amine.
What is the SMILES notation for 1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]-N,N-diethylpyrrolidin-3-amine?
The canonical SMILES for 1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]-N,N-diethylpyrrolidin-3-amine is CCN(CC)C1CCN(C2(CN)CC(C)(C)OC2(C)C)C1.
What is the InChIKey of 1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]-N,N-diethylpyrrolidin-3-amine?
The InChIKey is MAHVICCFAXUMAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-7-19(8-2)14-9-10-20(11-14)17(13-18)12-15(3,4)21-16(17,5)6/h14H,7-13,18H2,1-6H3.
What are the key properties of 1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]-N,N-diethylpyrrolidin-3-amine?
1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]-N,N-diethylpyrrolidin-3-amine has a molecular weight of 297.49 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]-N,N-diethylpyrrolidin-3-amine is sourced from PubChem (CID 79911235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).