2-propan-2-yl-7-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane

C16H31N3 — CID 167417537

IUPAC2-propan-2-yl-7-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane
SMILESCC(C)N1CCC(N2CCC3(CN(C(C)C)C3)C2)C1
InChIInChI=1S/C16H31N3/c1-13(2)17-7-5-15(9-17)18-8-6-16(10-18)11-19(12-16)14(3)4/h13-15H,5-12H2,1-4H3
InChIKeyGPLXMMYWLWRMFV-UHFFFAOYSA-N
MW265.44 g/mol
LogP1.89
Rot. Bonds3

About 2-propan-2-yl-7-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane

2-propan-2-yl-7-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane (PubChem CID 167417537) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-propan-2-yl-7-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-propan-2-yl-7-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane
PubChem CID167417537
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-propan-2-yl-7-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane
SMILESCC(C)N1CCC(N2CCC3(CN(C(C)C)C3)C2)C1
InChIInChI=1S/C16H31N3/c1-13(2)17-7-5-15(9-17)18-8-6-16(10-18)11-19(12-16)14(3)4/h13-15H,5-12H2,1-4H3
InChIKeyGPLXMMYWLWRMFV-UHFFFAOYSA-N
XLogP1.89
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-propan-2-yl-2-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane
CID 155218609
(3S)-1-propan-2-yl-3-pyrrolidin-1-ylpyrrolidine
CID 130210207
(3S)-3-(3,3-difluoroazetidin-1-yl)-1-propan-2-ylpyrrolidine
CID 156546461
1-(1-propan-2-ylpyrrolidin-3-yl)piperidine
CID 58850224
3-methyl-1-(1-propan-2-ylpyrrolidin-3-yl)pyrrolidine-3-carboxylic acid
CID 65063878
7-cyclohexyl-2-propan-2-yl-2,7-diazaspiro[3.5]nonane;ethene
CID 176984351
1-propan-2-yl-4-(1-propan-2-ylpyrrolidin-3-yl)piperazine
CID 58904691
7-propan-2-yl-2-(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)-2,7-diazaspiro[3.4]octane
CID 167417671
6-(3-methyl-1-propan-2-ylpiperidin-4-yl)-2-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 177247626
7-(4-butan-2-ylcyclohexyl)-2-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 176983528
2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417819
(8aR)-2-propan-2-yl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazine;ethane
CID 161281609

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-propan-2-yl-7-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane (CID 167417537) is 2-propan-2-yl-7-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-propan-2-yl-7-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-propan-2-yl-7-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane is CC(C)N1CCC(N2CCC3(CN(C(C)C)C3)C2)C1.
What is the InChIKey of 2-propan-2-yl-7-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane?
The InChIKey is GPLXMMYWLWRMFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H31N3/c1-13(2)17-7-5-15(9-17)18-8-6-16(10-18)11-19(12-16)14(3)4/h13-15H,5-12H2,1-4H3.
What are the key properties of 2-propan-2-yl-7-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane?
2-propan-2-yl-7-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane has a molecular weight of 265.44 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-7-(1-propan-2-ylpyrrolidin-3-yl)-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 167417537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).