9-(1-methylpyrrolidin-3-yl)-3-propan-2-yl-3,9-diazaspiro[5.5]undecane

C17H33N3 — CID 155219366

IUPAC9-(1-methylpyrrolidin-3-yl)-3-propan-2-yl-3,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCC2(CC1)CCN(C1CCN(C)C1)CC2
InChIInChI=1S/C17H33N3/c1-15(2)19-10-5-17(6-11-19)7-12-20(13-8-17)16-4-9-18(3)14-16/h15-16H,4-14H2,1-3H3
InChIKeyIPAVQKXDLILBEY-UHFFFAOYSA-N
MW279.47 g/mol
LogP2.28
Rot. Bonds2

About 9-(1-methylpyrrolidin-3-yl)-3-propan-2-yl-3,9-diazaspiro[5.5]undecane

9-(1-methylpyrrolidin-3-yl)-3-propan-2-yl-3,9-diazaspiro[5.5]undecane (PubChem CID 155219366) has the molecular formula C17H33N3 and a molecular weight of 279.47 g/mol. Its IUPAC name is 9-(1-methylpyrrolidin-3-yl)-3-propan-2-yl-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(1-methylpyrrolidin-3-yl)-3-propan-2-yl-3,9-diazaspiro[5.5]undecane
PubChem CID155219366
Molecular FormulaC17H33N3
Molecular Weight279.47 g/mol
Exact Mass279.27
IUPAC Name9-(1-methylpyrrolidin-3-yl)-3-propan-2-yl-3,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCC2(CC1)CCN(C1CCN(C)C1)CC2
InChIInChI=1S/C17H33N3/c1-15(2)19-10-5-17(6-11-19)7-12-20(13-8-17)16-4-9-18(3)14-16/h15-16H,4-14H2,1-3H3
InChIKeyIPAVQKXDLILBEY-UHFFFAOYSA-N
XLogP2.28
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.47
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(1-methylpyrrolidin-3-yl)-3-propan-2-yl-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(1-methylpyrrolidin-3-yl)-3-propan-2-yl-3,9-diazaspiro[5.5]undecane (CID 155219366) is 9-(1-methylpyrrolidin-3-yl)-3-propan-2-yl-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(1-methylpyrrolidin-3-yl)-3-propan-2-yl-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(1-methylpyrrolidin-3-yl)-3-propan-2-yl-3,9-diazaspiro[5.5]undecane is CC(C)N1CCC2(CC1)CCN(C1CCN(C)C1)CC2.
What is the InChIKey of 9-(1-methylpyrrolidin-3-yl)-3-propan-2-yl-3,9-diazaspiro[5.5]undecane?
The InChIKey is IPAVQKXDLILBEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33N3/c1-15(2)19-10-5-17(6-11-19)7-12-20(13-8-17)16-4-9-18(3)14-16/h15-16H,4-14H2,1-3H3.
What are the key properties of 9-(1-methylpyrrolidin-3-yl)-3-propan-2-yl-3,9-diazaspiro[5.5]undecane?
9-(1-methylpyrrolidin-3-yl)-3-propan-2-yl-3,9-diazaspiro[5.5]undecane has a molecular weight of 279.47 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(1-methylpyrrolidin-3-yl)-3-propan-2-yl-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 155219366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).