7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane;1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone

C25H46N2O — CID 169125160

IUPAC7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane;1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CC(C(C)C)C2.CC(C)C1CC2(CCN(C)CC2)C1
InChIInChI=1S/C13H23NO.C12H23N/c1-10(2)12-8-13(9-12)4-6-14(7-5-13)11(3)15;1-10(2)11-8-12(9-11)4-6-13(3)7-5-12/h10,12H,4-9H2,1-3H3;10-11H,4-9H2,1-3H3
InChIKeyFQOQWLQWFTVUEI-UHFFFAOYSA-N
MW390.66 g/mol
LogP5.45
Rot. Bonds2

About 7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane;1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone

7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane;1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone (PubChem CID 169125160) has the molecular formula C25H46N2O and a molecular weight of 390.66 g/mol. Its IUPAC name is 7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane;1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone.

Molecular Properties

Compound Name7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane;1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone
PubChem CID169125160
Molecular FormulaC25H46N2O
Molecular Weight390.66 g/mol
Exact Mass390.36
IUPAC Name7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane;1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone
SMILESCC(=O)N1CCC2(CC1)CC(C(C)C)C2.CC(C)C1CC2(CCN(C)CC2)C1
InChIInChI=1S/C13H23NO.C12H23N/c1-10(2)12-8-13(9-12)4-6-14(7-5-13)11(3)15;1-10(2)11-8-12(9-11)4-6-13(3)7-5-12/h10,12H,4-9H2,1-3H3;10-11H,4-9H2,1-3H3
InChIKeyFQOQWLQWFTVUEI-UHFFFAOYSA-N
XLogP5.45
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.66
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane;1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

1-[4-[2-Methyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidin-1-yl]ethanone
CID 134480791
1-[4-[2,5-Dimethyl-5-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]hexan-2-yl]piperidin-1-yl]ethanone
CID 134481106
1-(2-Propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 71244312
1-[4-[(4-Tert-butylpiperidin-1-yl)methyl]piperidin-1-yl]ethanone
CID 118531398
1-[(3S)-3-[5-[3-(4-methylpiperazin-1-yl)cyclobutyl]hexan-2-yl]piperidin-1-yl]ethanone
CID 132147066
1-[4-[4-(4-Tert-butylpiperidin-1-yl)-2-methylbutan-2-yl]piperidin-1-yl]ethanone
CID 139501444
1-[4-[(1-Acetylpiperidin-4-yl)methyl]piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 140912317
Ethane;1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone
CID 153558614
1-[9-(4-Methylpentyl)-3,9-diazaspiro[5.5]undecan-3-yl]ethanone
CID 155405276
1-(3,4-Ditert-butyl-5-propan-2-ylpiperidin-1-yl)ethanone
CID 156376111
Ethane;1-[4-(1-methylpiperidin-4-yl)piperidin-1-yl]ethanone
CID 156836992
1,1-Di(propan-2-yl)cyclobutane;bis(1,1-di(propan-2-yl)cyclohexane);1-[4,4-di(propan-2-yl)piperidin-1-yl]ethanone;methane;1-methyl-4,4-di(propan-2-yl)piperidine
CID 157336933

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane;1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone?
The IUPAC name of 7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane;1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone (CID 169125160) is 7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane;1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone.
What is the SMILES notation for 7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane;1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone?
The canonical SMILES for 7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane;1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone is CC(=O)N1CCC2(CC1)CC(C(C)C)C2.CC(C)C1CC2(CCN(C)CC2)C1.
What is the InChIKey of 7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane;1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone?
The InChIKey is FQOQWLQWFTVUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO.C12H23N/c1-10(2)12-8-13(9-12)4-6-14(7-5-13)11(3)15;1-10(2)11-8-12(9-11)4-6-13(3)7-5-12/h10,12H,4-9H2,1-3H3;10-11H,4-9H2,1-3H3.
What are the key properties of 7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane;1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone?
7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane;1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone has a molecular weight of 390.66 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-propan-2-yl-7-azaspiro[3.5]nonane;1-(2-propan-2-yl-7-azaspiro[3.5]nonan-7-yl)ethanone is sourced from PubChem (CID 169125160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).