2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane

C18H35N3 — CID 167417819

IUPAC2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)N1CCC(CN2CCC3(CC2)CN(C(C)C)C3)C1
InChIInChI=1S/C18H35N3/c1-15(2)20-8-5-17(12-20)11-19-9-6-18(7-10-19)13-21(14-18)16(3)4/h15-17H,5-14H2,1-4H3
InChIKeyQKCDOJSLYLITLT-UHFFFAOYSA-N
MW293.50 g/mol
LogP2.52
Rot. Bonds4

About 2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane

2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 167417819) has the molecular formula C18H35N3 and a molecular weight of 293.50 g/mol. Its IUPAC name is 2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
PubChem CID167417819
Molecular FormulaC18H35N3
Molecular Weight293.50 g/mol
Exact Mass293.28
IUPAC Name2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
SMILESCC(C)N1CCC(CN2CCC3(CC2)CN(C(C)C)C3)C1
InChIInChI=1S/C18H35N3/c1-15(2)20-8-5-17(12-20)11-19-9-6-18(7-10-19)13-21(14-18)16(3)4/h15-17H,5-14H2,1-4H3
InChIKeyQKCDOJSLYLITLT-UHFFFAOYSA-N
XLogP2.52
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.50
LogP ≤ 52.52
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)methyl]-2,7-diazaspiro[3.5]nonane
CID 167417878
2-propan-2-yl-6-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]methyl]-2,6-diazaspiro[3.3]heptane
CID 170666585
3-propan-2-yl-9-[(1-propan-2-ylpiperidin-4-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155184308
2-propan-2-yl-7-[(1-propylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 155599548
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
7-methyl-2-[(1-propan-2-ylazetidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 174168118
2-propan-2-yl-6-[(1-propan-2-ylazetidin-3-yl)methyl]-2,6-diazaspiro[3.3]heptane
CID 167417706
1-[4-[[(3S)-1-propan-2-ylpyrrolidin-3-yl]methyl]piperazin-1-yl]ethanone
CID 167190623
9-methoxy-3-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-azaspiro[5.5]undecane
CID 155702568
ethane;7-[(1-fluoropyrrolidin-3-yl)methyl]-2-methyl-2,7-diazaspiro[3.5]nonane
CID 156836674

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane (CID 167417819) is 2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane is CC(C)N1CCC(CN2CCC3(CC2)CN(C(C)C)C3)C1.
What is the InChIKey of 2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is QKCDOJSLYLITLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H35N3/c1-15(2)20-8-5-17(12-20)11-19-9-6-18(7-10-19)13-21(14-18)16(3)4/h15-17H,5-14H2,1-4H3.
What are the key properties of 2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane?
2-propan-2-yl-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 293.50 g/mol, XLogP of 2.52, 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-7-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 167417819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).