[(3S)-5-tert-butyl-3-methyl-1-propan-2-ylpyrrolidin-3-yl]methanamine

C13H28N2 — CID 126638807

IUPAC[(3S)-5-tert-butyl-3-methyl-1-propan-2-ylpyrrolidin-3-yl]methanamine
SMILESCC(C)N1C[C@](C)(CN)CC1C(C)(C)C
InChIInChI=1S/C13H28N2/c1-10(2)15-9-13(6,8-14)7-11(15)12(3,4)5/h10-11H,7-9,14H2,1-6H3/t11?,13-/m0/s1
InChIKeyWCBNUNMEXPLLAN-YUZLPWPTSA-N
MW212.38 g/mol
LogP2.48
Rot. Bonds2

About [(3S)-5-tert-butyl-3-methyl-1-propan-2-ylpyrrolidin-3-yl]methanamine

[(3S)-5-tert-butyl-3-methyl-1-propan-2-ylpyrrolidin-3-yl]methanamine (PubChem CID 126638807) has the molecular formula C13H28N2 and a molecular weight of 212.38 g/mol. Its IUPAC name is [(3S)-5-tert-butyl-3-methyl-1-propan-2-ylpyrrolidin-3-yl]methanamine.

Molecular Properties

Compound Name[(3S)-5-tert-butyl-3-methyl-1-propan-2-ylpyrrolidin-3-yl]methanamine
PubChem CID126638807
Molecular FormulaC13H28N2
Molecular Weight212.38 g/mol
Exact Mass212.23
IUPAC Name[(3S)-5-tert-butyl-3-methyl-1-propan-2-ylpyrrolidin-3-yl]methanamine
SMILESCC(C)N1C[C@](C)(CN)CC1C(C)(C)C
InChIInChI=1S/C13H28N2/c1-10(2)15-9-13(6,8-14)7-11(15)12(3,4)5/h10-11H,7-9,14H2,1-6H3/t11?,13-/m0/s1
InChIKeyWCBNUNMEXPLLAN-YUZLPWPTSA-N
XLogP2.48
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.38
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(aminomethyl)-4-methyl-1-propan-2-ylpyrrolidin-2-one
CID 84653847
4-tert-butyl-3-propan-2-yl-1,3-thiazolidine 1,1-dioxide
CID 118445885
2-tert-butyl-5-fluoro-5-methyl-1-propan-2-ylazepane
CID 175612284
2-tert-butyl-4-ethyl-1-propan-2-ylpyrrolidine
CID 89132122
(2R)-2-tert-butyl-1-propan-2-ylpiperidine
CID 171587843
5,5-dimethyl-1-propan-2-yl-2-(trifluoromethyl)piperazine
CID 84689190
3-(aminomethyl)-3-methylcyclobutan-1-ol
CID 115011071
(3,3-dimethyl-1-propan-2-ylazetidin-2-yl)methanol
CID 45096023
3-(aminomethyl)-N,3-dimethylcyclobutan-1-amine
CID 168891555
2-tert-butyl-1-propan-2-yl-4-(trifluoromethyl)pyrrolidine
CID 175613615
(1R,3S,5R)-3-tert-butyl-5-methyl-2-(3-methylbutan-2-yl)-2-azabicyclo[3.1.0]hexane
CID 166766977
5-tert-butyl-3,3-dimethyl-1-propan-2-ylpiperidine
CID 174171326

Frequently Asked Questions

What is the IUPAC name of [(3S)-5-tert-butyl-3-methyl-1-propan-2-ylpyrrolidin-3-yl]methanamine?
The IUPAC name of [(3S)-5-tert-butyl-3-methyl-1-propan-2-ylpyrrolidin-3-yl]methanamine (CID 126638807) is [(3S)-5-tert-butyl-3-methyl-1-propan-2-ylpyrrolidin-3-yl]methanamine.
What is the SMILES notation for [(3S)-5-tert-butyl-3-methyl-1-propan-2-ylpyrrolidin-3-yl]methanamine?
The canonical SMILES for [(3S)-5-tert-butyl-3-methyl-1-propan-2-ylpyrrolidin-3-yl]methanamine is CC(C)N1C[C@](C)(CN)CC1C(C)(C)C.
What is the InChIKey of [(3S)-5-tert-butyl-3-methyl-1-propan-2-ylpyrrolidin-3-yl]methanamine?
The InChIKey is WCBNUNMEXPLLAN-YUZLPWPTSA-N. The full InChI is InChI=1S/C13H28N2/c1-10(2)15-9-13(6,8-14)7-11(15)12(3,4)5/h10-11H,7-9,14H2,1-6H3/t11?,13-/m0/s1.
What are the key properties of [(3S)-5-tert-butyl-3-methyl-1-propan-2-ylpyrrolidin-3-yl]methanamine?
[(3S)-5-tert-butyl-3-methyl-1-propan-2-ylpyrrolidin-3-yl]methanamine has a molecular weight of 212.38 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-5-tert-butyl-3-methyl-1-propan-2-ylpyrrolidin-3-yl]methanamine is sourced from PubChem (CID 126638807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).