2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane

C16H31N3 — CID 170666585

IUPAC2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane
SMILESCC(C)N1CC[C@H](CN2CC3(C2)CN(C(C)C)C3)C1
InChIInChI=1S/C16H31N3/c1-13(2)18-6-5-15(8-18)7-17-9-16(10-17)11-19(12-16)14(3)4/h13-15H,5-12H2,1-4H3/t15-/m1/s1
InChIKeyLQVSJBAWCFLGAQ-OAHLLOKOSA-N
MW265.44 g/mol
LogP1.74
Rot. Bonds4

About 2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane

2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane (PubChem CID 170666585) has the molecular formula C16H31N3 and a molecular weight of 265.44 g/mol. Its IUPAC name is 2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane.

Molecular Properties

Compound Name2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane
PubChem CID170666585
Molecular FormulaC16H31N3
Molecular Weight265.44 g/mol
Exact Mass265.25
IUPAC Name2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane
SMILESCC(C)N1CC[C@H](CN2CC3(C2)CN(C(C)C)C3)C1
InChIInChI=1S/C16H31N3/c1-13(2)18-6-5-15(8-18)7-17-9-16(10-17)11-19(12-16)14(3)4/h13-15H,5-12H2,1-4H3/t15-/m1/s1
InChIKeyLQVSJBAWCFLGAQ-OAHLLOKOSA-N
XLogP1.74
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.44
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417819
7-propan-2-yl-2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417878
2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 167417706
2-[[(3S)-1-methylpyrrolidin-3-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 174168119
1-ethyl-4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazine
CID 170266000
1-methyl-4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazine
CID 170617047
6-[(1-phenylpiperidin-4-yl)methyl]-2-propan-2-yl-2,6-diazaspiro[3.3]heptane
CID 171070135
7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 174168118
1-[4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
CID 167190623
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
7-propan-2-yl-2-[(2-propan-2-yl-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-yl)methyl]-2,7-diazaspiro[3.4]octane
CID 167417400
2-methyl-1-[4-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperazin-1-yl]propan-1-one
CID 170613851

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane?
The IUPAC name of 2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane (CID 170666585) is 2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane.
What is the SMILES notation for 2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane?
The canonical SMILES for 2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane is CC(C)N1CC[C@H](CN2CC3(C2)CN(C(C)C)C3)C1.
What is the InChIKey of 2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane?
The InChIKey is LQVSJBAWCFLGAQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H31N3/c1-13(2)18-6-5-15(8-18)7-17-9-16(10-17)11-19(12-16)14(3)4/h13-15H,5-12H2,1-4H3/t15-/m1/s1.
What are the key properties of 2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane?
2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane has a molecular weight of 265.44 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane is sourced from PubChem (CID 170666585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).