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

C28H51N3 — CID 171748190

IUPAC9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)-3,9-diazaspiro[5.5]undecane
SMILESCC(C)CC1(CN2CCC3(CC2)CCN(C2CC4(CCN(C(C)C)CC4)C2)CC3)CC1
InChIInChI=1S/C28H51N3/c1-23(2)19-28(5-6-28)22-29-13-7-26(8-14-29)9-17-31(18-10-26)25-20-27(21-25)11-15-30(16-12-27)24(3)4/h23-25H,5-22H2,1-4H3
InChIKeyMSCVZYAWOJHUGM-UHFFFAOYSA-N
MW429.74 g/mol
LogP5.64
Rot. Bonds6

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

9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)-3,9-diazaspiro[5.5]undecane (PubChem CID 171748190) has the molecular formula C28H51N3 and a molecular weight of 429.74 g/mol. Its IUPAC name is 9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)-3,9-diazaspiro[5.5]undecane
PubChem CID171748190
Molecular FormulaC28H51N3
Molecular Weight429.74 g/mol
Exact Mass429.41
IUPAC Name9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)-3,9-diazaspiro[5.5]undecane
SMILESCC(C)CC1(CN2CCC3(CC2)CCN(C2CC4(CCN(C(C)C)CC4)C2)CC3)CC1
InChIInChI=1S/C28H51N3/c1-23(2)19-28(5-6-28)22-29-13-7-26(8-14-29)9-17-31(18-10-26)25-20-27(21-25)11-15-30(16-12-27)24(3)4/h23-25H,5-22H2,1-4H3
InChIKeyMSCVZYAWOJHUGM-UHFFFAOYSA-N
XLogP5.64
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.74
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

3-(7-methyl-7-azaspiro[3.5]nonan-2-yl)-9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3,9-diazaspiro[5.5]undecane
CID 174276682
7-propan-2-yl-2-(4-propan-2-ylpiperazin-1-yl)-7-azaspiro[3.5]nonane
CID 166030716
2-[[4-fluoro-1-[[1-(2-methylpropyl)cyclopropyl]methyl]piperidin-4-yl]methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 171748434
7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-2,7-diazaspiro[3.5]nonane
CID 177083654
6-[[1-(2-methylpropyl)cyclopropyl]methyl]-2-(1-propan-2-ylpiperidin-4-yl)-2,6-diazaspiro[3.3]heptane
CID 171748237
4-methyl-1-[[1-(2-methylpropyl)cyclopropyl]methyl]-4-[[4-(1-propan-2-ylpiperidin-4-yl)piperidin-1-yl]methyl]piperidine
CID 171748518
7-(1-methylpiperidin-4-yl)-2-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276821
2-(1-methylpiperidin-4-yl)-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-2,7-diazaspiro[3.5]nonane
CID 174276776
1-[1-[[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]methyl]piperidin-4-yl]-4-propan-2-ylpiperazine
CID 171748359
1-[[1-[1-[[1-(2-methylpropyl)cyclopropyl]methyl]azetidin-3-yl]piperidin-4-yl]methyl]-4-propan-2-ylpiperazine
CID 171748431
2-[[(2R)-2,4-dimethylpiperazin-1-yl]methyl]-7-[[1-(2-methylpropyl)cyclopropyl]methyl]-7-azaspiro[3.5]nonane
CID 174276720
3-propan-2-yl-9-[(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)methyl]-3,9-diazaspiro[5.5]undecane
CID 155702525

Frequently Asked Questions

What is the IUPAC name of 9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)-3,9-diazaspiro[5.5]undecane (CID 171748190) is 9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)-3,9-diazaspiro[5.5]undecane is CC(C)CC1(CN2CCC3(CC2)CCN(C2CC4(CCN(C(C)C)CC4)C2)CC3)CC1.
What is the InChIKey of 9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is MSCVZYAWOJHUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H51N3/c1-23(2)19-28(5-6-28)22-29-13-7-26(8-14-29)9-17-31(18-10-26)25-20-27(21-25)11-15-30(16-12-27)24(3)4/h23-25H,5-22H2,1-4H3.
What are the key properties of 9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)-3,9-diazaspiro[5.5]undecane?
9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 429.74 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-(7-propan-2-yl-7-azaspiro[3.5]nonan-2-yl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 171748190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).