(3S)-1-tert-butyl-N-(2-methoxy-2-methylpropyl)-N,5,5-trimethylpyrrolidin-3-amine

C16H34N2O — CID 168820801

IUPAC(3S)-1-tert-butyl-N-(2-methoxy-2-methylpropyl)-N,5,5-trimethylpyrrolidin-3-amine
SMILESCOC(C)(C)CN(C)[C@@H]1CN(C(C)(C)C)C(C)(C)C1
InChIInChI=1S/C16H34N2O/c1-14(2,3)18-11-13(10-15(18,4)5)17(8)12-16(6,7)19-9/h13H,10-12H2,1-9H3/t13-/m0/s1
InChIKeyYGJOONADATXHGS-ZDUSSCGKSA-N
MW270.46 g/mol
LogP2.99
Rot. Bonds4

About (3S)-1-tert-butyl-N-(2-methoxy-2-methylpropyl)-N,5,5-trimethylpyrrolidin-3-amine

(3S)-1-tert-butyl-N-(2-methoxy-2-methylpropyl)-N,5,5-trimethylpyrrolidin-3-amine (PubChem CID 168820801) has the molecular formula C16H34N2O and a molecular weight of 270.46 g/mol. Its IUPAC name is (3S)-1-tert-butyl-N-(2-methoxy-2-methylpropyl)-N,5,5-trimethylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-1-tert-butyl-N-(2-methoxy-2-methylpropyl)-N,5,5-trimethylpyrrolidin-3-amine
PubChem CID168820801
Molecular FormulaC16H34N2O
Molecular Weight270.46 g/mol
Exact Mass270.27
IUPAC Name(3S)-1-tert-butyl-N-(2-methoxy-2-methylpropyl)-N,5,5-trimethylpyrrolidin-3-amine
SMILESCOC(C)(C)CN(C)[C@@H]1CN(C(C)(C)C)C(C)(C)C1
InChIInChI=1S/C16H34N2O/c1-14(2,3)18-11-13(10-15(18,4)5)17(8)12-16(6,7)19-9/h13H,10-12H2,1-9H3/t13-/m0/s1
InChIKeyYGJOONADATXHGS-ZDUSSCGKSA-N
XLogP2.99
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.46
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-N-(2-methoxy-2-methylpropyl)-N,5,5-trimethylpyrrolidin-3-amine?
The IUPAC name of (3S)-1-tert-butyl-N-(2-methoxy-2-methylpropyl)-N,5,5-trimethylpyrrolidin-3-amine (CID 168820801) is (3S)-1-tert-butyl-N-(2-methoxy-2-methylpropyl)-N,5,5-trimethylpyrrolidin-3-amine.
What is the SMILES notation for (3S)-1-tert-butyl-N-(2-methoxy-2-methylpropyl)-N,5,5-trimethylpyrrolidin-3-amine?
The canonical SMILES for (3S)-1-tert-butyl-N-(2-methoxy-2-methylpropyl)-N,5,5-trimethylpyrrolidin-3-amine is COC(C)(C)CN(C)[C@@H]1CN(C(C)(C)C)C(C)(C)C1.
What is the InChIKey of (3S)-1-tert-butyl-N-(2-methoxy-2-methylpropyl)-N,5,5-trimethylpyrrolidin-3-amine?
The InChIKey is YGJOONADATXHGS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H34N2O/c1-14(2,3)18-11-13(10-15(18,4)5)17(8)12-16(6,7)19-9/h13H,10-12H2,1-9H3/t13-/m0/s1.
What are the key properties of (3S)-1-tert-butyl-N-(2-methoxy-2-methylpropyl)-N,5,5-trimethylpyrrolidin-3-amine?
(3S)-1-tert-butyl-N-(2-methoxy-2-methylpropyl)-N,5,5-trimethylpyrrolidin-3-amine has a molecular weight of 270.46 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tert-butyl-N-(2-methoxy-2-methylpropyl)-N,5,5-trimethylpyrrolidin-3-amine is sourced from PubChem (CID 168820801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).