3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane

C26H47N3 — CID 174276682

IUPAC3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane
SMILESCC(C)CC1(CN2CCC3(CC2)CCN(C2CC4(CCN(C)CC4)C2)CC3)CC1
InChIInChI=1S/C26H47N3/c1-22(2)18-26(4-5-26)21-28-14-8-24(9-15-28)10-16-29(17-11-24)23-19-25(20-23)6-12-27(3)13-7-25/h22-23H,4-21H2,1-3H3
InChIKeyJCBPRECYPBCZIA-UHFFFAOYSA-N
MW401.68 g/mol
LogP4.87
Rot. Bonds5

About 3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane

3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane (PubChem CID 174276682) has the molecular formula C26H47N3 and a molecular weight of 401.68 g/mol. Its IUPAC name is 3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane
PubChem CID174276682
Molecular FormulaC26H47N3
Molecular Weight401.68 g/mol
Exact Mass401.38
IUPAC Name3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane
SMILESCC(C)CC1(CN2CCC3(CC2)CCN(C2CC4(CCN(C)CC4)C2)CC3)CC1
InChIInChI=1S/C26H47N3/c1-22(2)18-26(4-5-26)21-28-14-8-24(9-15-28)10-16-29(17-11-24)23-19-25(20-23)6-12-27(3)13-7-25/h22-23H,4-21H2,1-3H3
InChIKeyJCBPRECYPBCZIA-UHFFFAOYSA-N
XLogP4.87
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.68
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane (CID 174276682) is 3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane is CC(C)CC1(CN2CCC3(CC2)CCN(C2CC4(CCN(C)CC4)C2)CC3)CC1.
What is the InChIKey of 3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane?
The InChIKey is JCBPRECYPBCZIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H47N3/c1-22(2)18-26(4-5-26)21-28-14-8-24(9-15-28)10-16-29(17-11-24)23-19-25(20-23)6-12-27(3)13-7-25/h22-23H,4-21H2,1-3H3.
What are the key properties of 3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane?
3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane has a molecular weight of 401.68 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 174276682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).