1-[1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]piperidin-4-yl]-N,N-dimethylmethanamine

C17H35N3O — CID 79911925

IUPAC1-[1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(C2(CN)CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C17H35N3O/c1-15(2)12-17(13-18,16(3,4)21-15)20-9-7-14(8-10-20)11-19(5)6/h14H,7-13,18H2,1-6H3
InChIKeyJGVZLRWPKXJQCJ-UHFFFAOYSA-N
MW297.49 g/mol
LogP1.93
Rot. Bonds4

About 1-[1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 79911925) has the molecular formula C17H35N3O and a molecular weight of 297.49 g/mol. Its IUPAC name is 1-[1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID79911925
Molecular FormulaC17H35N3O
Molecular Weight297.49 g/mol
Exact Mass297.28
IUPAC Name1-[1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(C2(CN)CC(C)(C)OC2(C)C)CC1
InChIInChI=1S/C17H35N3O/c1-15(2)12-17(13-18,16(3,4)21-15)20-9-7-14(8-10-20)11-19(5)6/h14H,7-13,18H2,1-6H3
InChIKeyJGVZLRWPKXJQCJ-UHFFFAOYSA-N
XLogP1.93
TPSA41.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.49
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]piperidin-4-yl]-N,N-dimethylmethanamine (CID 79911925) is 1-[1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]piperidin-4-yl]-N,N-dimethylmethanamine is CN(C)CC1CCN(C2(CN)CC(C)(C)OC2(C)C)CC1.
What is the InChIKey of 1-[1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is JGVZLRWPKXJQCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H35N3O/c1-15(2)12-17(13-18,16(3,4)21-15)20-9-7-14(8-10-20)11-19(5)6/h14H,7-13,18H2,1-6H3.
What are the key properties of 1-[1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 297.49 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(aminomethyl)-2,2,5,5-tetramethyloxolan-3-yl]piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 79911925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).