1-[(2R,3R)-1,5-ditert-butyl-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine

C16H34N2 — CID 155064910

IUPAC1-[(2R,3R)-1,5-ditert-butyl-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine
SMILESC[C@@H]1[C@@H](CN(C)C)CC(C(C)(C)C)N1C(C)(C)C
InChIInChI=1S/C16H34N2/c1-12-13(11-17(8)9)10-14(15(2,3)4)18(12)16(5,6)7/h12-14H,10-11H2,1-9H3/t12-,13-,14?/m1/s1
InChIKeyOPYMIJWJYLPHRP-ZFXTZCCVSA-N
MW254.46 g/mol
LogP3.47
Rot. Bonds2

About 1-[(2R,3R)-1,5-ditert-butyl-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine

1-[(2R,3R)-1,5-ditert-butyl-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine (PubChem CID 155064910) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-[(2R,3R)-1,5-ditert-butyl-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[(2R,3R)-1,5-ditert-butyl-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine
PubChem CID155064910
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-[(2R,3R)-1,5-ditert-butyl-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine
SMILESC[C@@H]1[C@@H](CN(C)C)CC(C(C)(C)C)N1C(C)(C)C
InChIInChI=1S/C16H34N2/c1-12-13(11-17(8)9)10-14(15(2,3)4)18(12)16(5,6)7/h12-14H,10-11H2,1-9H3/t12-,13-,14?/m1/s1
InChIKeyOPYMIJWJYLPHRP-ZFXTZCCVSA-N
XLogP3.47
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R,3R)-1,5-ditert-butyl-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[(2R,3R)-1,5-ditert-butyl-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine (CID 155064910) is 1-[(2R,3R)-1,5-ditert-butyl-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[(2R,3R)-1,5-ditert-butyl-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[(2R,3R)-1,5-ditert-butyl-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine is C[C@@H]1[C@@H](CN(C)C)CC(C(C)(C)C)N1C(C)(C)C.
What is the InChIKey of 1-[(2R,3R)-1,5-ditert-butyl-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine?
The InChIKey is OPYMIJWJYLPHRP-ZFXTZCCVSA-N. The full InChI is InChI=1S/C16H34N2/c1-12-13(11-17(8)9)10-14(15(2,3)4)18(12)16(5,6)7/h12-14H,10-11H2,1-9H3/t12-,13-,14?/m1/s1.
What are the key properties of 1-[(2R,3R)-1,5-ditert-butyl-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine?
1-[(2R,3R)-1,5-ditert-butyl-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine has a molecular weight of 254.46 g/mol, XLogP of 3.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R,3R)-1,5-ditert-butyl-2-methylpyrrolidin-3-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 155064910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).