2-tert-butyl-6-[(3S)-3-methylpyrrolidin-1-yl]-2-azaspiro[3.3]heptane

C15H28N2 — CID 166567384

IUPAC2-tert-butyl-6-[(3S)-3-methylpyrrolidin-1-yl]-2-azaspiro[3.3]heptane
SMILESC[C@H]1CCN(C2CC3(C2)CN(C(C)(C)C)C3)C1
InChIInChI=1S/C15H28N2/c1-12-5-6-16(9-12)13-7-15(8-13)10-17(11-15)14(2,3)4/h12-13H,5-11H2,1-4H3/t12-/m0/s1
InChIKeyAHLBEJVFVJWHJS-LBPRGKRZSA-N
MW236.40 g/mol
LogP2.59
Rot. Bonds1

About 2-tert-butyl-6-[(3S)-3-methylpyrrolidin-1-yl]-2-azaspiro[3.3]heptane

2-tert-butyl-6-[(3S)-3-methylpyrrolidin-1-yl]-2-azaspiro[3.3]heptane (PubChem CID 166567384) has the molecular formula C15H28N2 and a molecular weight of 236.40 g/mol. Its IUPAC name is 2-tert-butyl-6-[(3S)-3-methylpyrrolidin-1-yl]-2-azaspiro[3.3]heptane.

Molecular Properties

Compound Name2-tert-butyl-6-[(3S)-3-methylpyrrolidin-1-yl]-2-azaspiro[3.3]heptane
PubChem CID166567384
Molecular FormulaC15H28N2
Molecular Weight236.40 g/mol
Exact Mass236.23
IUPAC Name2-tert-butyl-6-[(3S)-3-methylpyrrolidin-1-yl]-2-azaspiro[3.3]heptane
SMILESC[C@H]1CCN(C2CC3(C2)CN(C(C)(C)C)C3)C1
InChIInChI=1S/C15H28N2/c1-12-5-6-16(9-12)13-7-15(8-13)10-17(11-15)14(2,3)4/h12-13H,5-11H2,1-4H3/t12-/m0/s1
InChIKeyAHLBEJVFVJWHJS-LBPRGKRZSA-N
XLogP2.59
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.40
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3R)-1-tert-butyl-3-[(3S)-3-methylpyrrolidin-1-yl]pyrrolidine
CID 166567380
1-cyclohexyl-3-methylpyrrolidine
CID 13402657
1-cyclopropyl-3-methylpyrrolidine;ethane
CID 176992470
(3R)-3-methyl-1-(oxetan-3-yl)pyrrolidine
CID 142381359
2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine
CID 159767975
1-(methylamino)-3-(3-methylpyrrolidin-1-yl)cyclopentane-1-carboxylic acid
CID 79654844
2-methyl-1-[6-(4-methylpiperidin-1-yl)-2-azaspiro[3.3]heptan-2-yl]propan-1-one
CID 176740074
2-tert-butyl-9-methyl-2-azaspiro[5.5]undecane
CID 134582203
2-tert-butyl-7-(1-tert-butylazetidin-3-yl)-2-azaspiro[3.5]nonane
CID 172511742
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
2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane
CID 161082636

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[(3S)-3-methylpyrrolidin-1-yl]-2-azaspiro[3.3]heptane?
The IUPAC name of 2-tert-butyl-6-[(3S)-3-methylpyrrolidin-1-yl]-2-azaspiro[3.3]heptane (CID 166567384) is 2-tert-butyl-6-[(3S)-3-methylpyrrolidin-1-yl]-2-azaspiro[3.3]heptane.
What is the SMILES notation for 2-tert-butyl-6-[(3S)-3-methylpyrrolidin-1-yl]-2-azaspiro[3.3]heptane?
The canonical SMILES for 2-tert-butyl-6-[(3S)-3-methylpyrrolidin-1-yl]-2-azaspiro[3.3]heptane is C[C@H]1CCN(C2CC3(C2)CN(C(C)(C)C)C3)C1.
What is the InChIKey of 2-tert-butyl-6-[(3S)-3-methylpyrrolidin-1-yl]-2-azaspiro[3.3]heptane?
The InChIKey is AHLBEJVFVJWHJS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H28N2/c1-12-5-6-16(9-12)13-7-15(8-13)10-17(11-15)14(2,3)4/h12-13H,5-11H2,1-4H3/t12-/m0/s1.
What are the key properties of 2-tert-butyl-6-[(3S)-3-methylpyrrolidin-1-yl]-2-azaspiro[3.3]heptane?
2-tert-butyl-6-[(3S)-3-methylpyrrolidin-1-yl]-2-azaspiro[3.3]heptane has a molecular weight of 236.40 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[(3S)-3-methylpyrrolidin-1-yl]-2-azaspiro[3.3]heptane is sourced from PubChem (CID 166567384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).