1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone

C20H39N3O — CID 166733131

IUPAC1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone
SMILESCCCC(C)CN1CCC2(CC1)CN(C(=O)CNC(C)CCC)C2
InChIInChI=1S/C20H39N3O/c1-5-7-17(3)14-22-11-9-20(10-12-22)15-23(16-20)19(24)13-21-18(4)8-6-2/h17-18,21H,5-16H2,1-4H3
InChIKeyGCCSLOIPGWMHMD-UHFFFAOYSA-N
MW337.55 g/mol
LogP3.13
Rot. Bonds9

About 1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone

1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone (PubChem CID 166733131) has the molecular formula C20H39N3O and a molecular weight of 337.55 g/mol. Its IUPAC name is 1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone.

Molecular Properties

Compound Name1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone
PubChem CID166733131
Molecular FormulaC20H39N3O
Molecular Weight337.55 g/mol
Exact Mass337.31
IUPAC Name1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone
SMILESCCCC(C)CN1CCC2(CC1)CN(C(=O)CNC(C)CCC)C2
InChIInChI=1S/C20H39N3O/c1-5-7-17(3)14-22-11-9-20(10-12-22)15-23(16-20)19(24)13-21-18(4)8-6-2/h17-18,21H,5-16H2,1-4H3
InChIKeyGCCSLOIPGWMHMD-UHFFFAOYSA-N
XLogP3.13
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.55
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone with MolForge

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Related Compounds

4,4-dimethyl-1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]hexan-1-one
CID 166800698
1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(propan-2-ylamino)ethanone
CID 155404886
2-(ethylamino)-1-[7-(2-methylpropyl)-2,7-diazaspiro[3.5]nonan-2-yl]ethanone
CID 156795215
1-(azepan-1-yl)-2-(pentan-2-ylamino)ethanone
CID 43179556
1-(7-ethyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-(methylamino)ethanone
CID 164556916
4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one
CID 157048753
4-ethyl-1-(2-methylpentyl)piperidine-4-carboxylic acid
CID 63126221
4-methyl-1-[9-(2-methylheptyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
CID 166678947
2-(propan-2-ylamino)-1-(2-propan-2-yl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 156517459
1-(azepan-1-yl)-2-(heptan-2-ylamino)ethanone
CID 60688159
2-(4-hydroxybutan-2-ylamino)-1-pyrrolidin-1-ylethanone
CID 83176699
9-methyl-3-(2-methylhexyl)-3,9-diazaspiro[5.5]undecane
CID 170250361

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone?
The IUPAC name of 1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone (CID 166733131) is 1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone.
What is the SMILES notation for 1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone?
The canonical SMILES for 1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone is CCCC(C)CN1CCC2(CC1)CN(C(=O)CNC(C)CCC)C2.
What is the InChIKey of 1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone?
The InChIKey is GCCSLOIPGWMHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H39N3O/c1-5-7-17(3)14-22-11-9-20(10-12-22)15-23(16-20)19(24)13-21-18(4)8-6-2/h17-18,21H,5-16H2,1-4H3.
What are the key properties of 1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone?
1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone has a molecular weight of 337.55 g/mol, XLogP of 3.13, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[7-(2-methylpentyl)-2,7-diazaspiro[3.5]nonan-2-yl]-2-(pentan-2-ylamino)ethanone is sourced from PubChem (CID 166733131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).