(3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine

C13H26N2 — CID 166567380

IUPAC(3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine
SMILESC[C@H]1CCN([C@@H]2CCN(C(C)(C)C)C2)C1
InChIInChI=1S/C13H26N2/c1-11-5-7-14(9-11)12-6-8-15(10-12)13(2,3)4/h11-12H,5-10H2,1-4H3/t11-,12+/m0/s1
InChIKeyODGGSSNTXCIXFL-NWDGAFQWSA-N
MW210.36 g/mol
LogP2.20
Rot. Bonds1

About (3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine

(3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine (PubChem CID 166567380) has the molecular formula C13H26N2 and a molecular weight of 210.36 g/mol. Its IUPAC name is (3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine.

Molecular Properties

Compound Name(3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine
PubChem CID166567380
Molecular FormulaC13H26N2
Molecular Weight210.36 g/mol
Exact Mass210.21
IUPAC Name(3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine
SMILESC[C@H]1CCN([C@@H]2CCN(C(C)(C)C)C2)C1
InChIInChI=1S/C13H26N2/c1-11-5-7-14(9-11)12-6-8-15(10-12)13(2,3)4/h11-12H,5-10H2,1-4H3/t11-,12+/m0/s1
InChIKeyODGGSSNTXCIXFL-NWDGAFQWSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.36
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine
CID 167291830
(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
CID 166567497
2-tert-butyl-6-[(3S)-3-methylpyrrolidin-1-yl]-2-azaspiro[3.3]heptane
CID 166567384
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine
CID 166567506
4-(1-tert-butylpyrrolidin-3-yl)morpholine
CID 58364982
1-cyclopropyl-3-methylpyrrolidine;ethane
CID 176992470
1-tert-butyl-4-(3-fluoropyrrolidin-1-yl)piperidine
CID 58364985
(3S)-1-tert-butyl-3-methylpyrrolidine;(3S)-1-tert-butylpyrrolidin-3-amine
CID 159904713
1-cyclohexyl-3-methylpyrrolidine
CID 13402657
2-tert-butyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine
CID 23403360
1-(1-tert-butylpyrrolidin-3-yl)-1,4-diazepane
CID 117004540
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine
CID 167291973

Frequently Asked Questions

What is the IUPAC name of (3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine?
The IUPAC name of (3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine (CID 166567380) is (3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine.
What is the SMILES notation for (3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine?
The canonical SMILES for (3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine is C[C@H]1CCN([C@@H]2CCN(C(C)(C)C)C2)C1.
What is the InChIKey of (3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine?
The InChIKey is ODGGSSNTXCIXFL-NWDGAFQWSA-N. The full InChI is InChI=1S/C13H26N2/c1-11-5-7-14(9-11)12-6-8-15(10-12)13(2,3)4/h11-12H,5-10H2,1-4H3/t11-,12+/m0/s1.
What are the key properties of (3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine?
(3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine has a molecular weight of 210.36 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine is sourced from PubChem (CID 166567380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).