1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine

C13H27N — CID 172515405

IUPAC1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine
SMILES[2H]C([2H])(C1CCCN1C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27N/c1-12(2,3)10-11-8-7-9-14(11)13(4,5)6/h11H,7-10H2,1-6H3/i10D2
InChIKeyKILGQVYIGJSSBL-KBMKNGFXSA-N
MW199.38 g/mol
LogP3.69
Rot. Bonds1

About 1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine

1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine (PubChem CID 172515405) has the molecular formula C13H27N and a molecular weight of 199.38 g/mol. Its IUPAC name is 1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine
PubChem CID172515405
Molecular FormulaC13H27N
Molecular Weight199.38 g/mol
Exact Mass199.23
IUPAC Name1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine
SMILES[2H]C([2H])(C1CCCN1C(C)(C)C)C(C)(C)C
InChIInChI=1S/C13H27N/c1-12(2,3)10-11-8-7-9-14(11)13(4,5)6/h11H,7-10H2,1-6H3/i10D2
InChIKeyKILGQVYIGJSSBL-KBMKNGFXSA-N
XLogP3.69
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.38
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine 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

(2R)-1-tert-butyl-2-propylpyrrolidine
CID 126550968
(2S)-1-tert-butyl-2-propylpyrrolidine
CID 126658078
1-tert-butyl-2-(fluoromethyl)piperidine
CID 171453847
(1-tert-butylpiperidin-2-yl)methanamine
CID 67209205
(1-tert-butylazepan-2-yl)methanol
CID 84660252
1-tert-butyl-2-propylpiperidine
CID 59028554
1-(1-tert-butylpiperidin-2-yl)-N,N-dimethylmethanamine
CID 21132217
2-benzyl-1-tert-butylpyrrolidine
CID 44597926
2-(1-tert-butylazepan-2-yl)ethanamine
CID 84668474
[(2S)-1-tert-butylpyrrolidin-2-yl]methyl propanoate
CID 59028635
[4-[(1-tert-butylpyrrolidin-2-yl)methyl]phenyl]methanol
CID 175185076
N-[(1-tert-butylpyrrolidin-2-yl)methyl]-N,2,2-trimethylpropanamide
CID 58408814

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine?
The IUPAC name of 1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine (CID 172515405) is 1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine.
What is the SMILES notation for 1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine?
The canonical SMILES for 1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine is [2H]C([2H])(C1CCCN1C(C)(C)C)C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine?
The InChIKey is KILGQVYIGJSSBL-KBMKNGFXSA-N. The full InChI is InChI=1S/C13H27N/c1-12(2,3)10-11-8-7-9-14(11)13(4,5)6/h11H,7-10H2,1-6H3/i10D2.
What are the key properties of 1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine?
1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine has a molecular weight of 199.38 g/mol, XLogP of 3.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-(1,1-dideuterio-2,2-dimethylpropyl)pyrrolidine is sourced from PubChem (CID 172515405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).