[3-(3,4-dimethylpyrrolidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine

C15H30N2O — CID 79927192

IUPAC[3-(3,4-dimethylpyrrolidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
SMILESCC1CN(C2(CN)CC(C)(C)OC2(C)C)CC1C
InChIInChI=1S/C15H30N2O/c1-11-7-17(8-12(11)2)15(10-16)9-13(3,4)18-14(15,5)6/h11-12H,7-10,16H2,1-6H3
InChIKeyQKQQWTBUFGMMEJ-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.25
Rot. Bonds2

About [3-(3,4-dimethylpyrrolidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine

[3-(3,4-dimethylpyrrolidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine (PubChem CID 79927192) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is [3-(3,4-dimethylpyrrolidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(3,4-dimethylpyrrolidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
PubChem CID79927192
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC Name[3-(3,4-dimethylpyrrolidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine
SMILESCC1CN(C2(CN)CC(C)(C)OC2(C)C)CC1C
InChIInChI=1S/C15H30N2O/c1-11-7-17(8-12(11)2)15(10-16)9-13(3,4)18-14(15,5)6/h11-12H,7-10,16H2,1-6H3
InChIKeyQKQQWTBUFGMMEJ-UHFFFAOYSA-N
XLogP2.25
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylpyrrolidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The IUPAC name of [3-(3,4-dimethylpyrrolidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine (CID 79927192) is [3-(3,4-dimethylpyrrolidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine.
What is the SMILES notation for [3-(3,4-dimethylpyrrolidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The canonical SMILES for [3-(3,4-dimethylpyrrolidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine is CC1CN(C2(CN)CC(C)(C)OC2(C)C)CC1C.
What is the InChIKey of [3-(3,4-dimethylpyrrolidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
The InChIKey is QKQQWTBUFGMMEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-11-7-17(8-12(11)2)15(10-16)9-13(3,4)18-14(15,5)6/h11-12H,7-10,16H2,1-6H3.
What are the key properties of [3-(3,4-dimethylpyrrolidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine?
[3-(3,4-dimethylpyrrolidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine has a molecular weight of 254.42 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylpyrrolidin-1-yl)-2,2,5,5-tetramethyloxolan-3-yl]methanamine is sourced from PubChem (CID 79927192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).