(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine

C12H24N2 — CID 166567497

IUPAC(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
SMILESCC(C)(C)N1CC[C@H](N2CCCC2)C1
InChIInChI=1S/C12H24N2/c1-12(2,3)14-9-6-11(10-14)13-7-4-5-8-13/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyWBYGPCQXKPXVTE-NSHDSACASA-N
MW196.34 g/mol
LogP1.96
Rot. Bonds1

About (3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine

(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine (PubChem CID 166567497) has the molecular formula C12H24N2 and a molecular weight of 196.34 g/mol. Its IUPAC name is (3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine.

Molecular Properties

Compound Name(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
PubChem CID166567497
Molecular FormulaC12H24N2
Molecular Weight196.34 g/mol
Exact Mass196.19
IUPAC Name(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine
SMILESCC(C)(C)N1CC[C@H](N2CCCC2)C1
InChIInChI=1S/C12H24N2/c1-12(2,3)14-9-6-11(10-14)13-7-4-5-8-13/h11H,4-10H2,1-3H3/t11-/m0/s1
InChIKeyWBYGPCQXKPXVTE-NSHDSACASA-N
XLogP1.96
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.34
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-tert-butyl-3,4,6,7,8,9,10,10a-octahydro-1H-pyrazino[1,2-a]azepine
CID 122520116
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-[(3R)-1-tert-butylpyrrolidin-3-yl]-4-fluoropiperidine
CID 167291830
4-(1-tert-butylpyrrolidin-3-yl)morpholine
CID 58364982
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-4-methoxypiperidine
CID 166567506
(3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine
CID 166567380
N,2-dimethyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
CID 117044509
1-(1-tert-butylazetidin-3-yl)pyrrolidine;carbon dioxide;methane
CID 161313953
2-cyclopropyl-2-(3-pyrrolidin-1-ylpyrrolidin-1-yl)propan-1-amine
CID 63171783
1-[(3S)-1-tert-butylpyrrolidin-3-yl]-3,3-difluoropyrrolidine
CID 167291973
3-methoxy-2-methyl-2-(3-piperidin-1-ylpyrrolidin-1-yl)propan-1-amine
CID 63169633

Frequently Asked Questions

What is the IUPAC name of (3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine?
The IUPAC name of (3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine (CID 166567497) is (3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine.
What is the SMILES notation for (3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine?
The canonical SMILES for (3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine is CC(C)(C)N1CC[C@H](N2CCCC2)C1.
What is the InChIKey of (3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine?
The InChIKey is WBYGPCQXKPXVTE-NSHDSACASA-N. The full InChI is InChI=1S/C12H24N2/c1-12(2,3)14-9-6-11(10-14)13-7-4-5-8-13/h11H,4-10H2,1-3H3/t11-/m0/s1.
What are the key properties of (3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine?
(3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine has a molecular weight of 196.34 g/mol, XLogP of 1.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-tert-butyl-3-pyrrolidin-1-ylpyrrolidine is sourced from PubChem (CID 166567497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).