1-[2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.5]nonan-7-yl]propan-1-one

C17H32N2O — CID 176934433

IUPAC1-[2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.5]nonan-7-yl]propan-1-one
SMILESCCC(=O)N1CCC2(CC1)CN(CCCC(C)(C)C)C2
InChIInChI=1S/C17H32N2O/c1-5-15(20)19-11-8-17(9-12-19)13-18(14-17)10-6-7-16(2,3)4/h5-14H2,1-4H3
InChIKeyVXMZCZTWRDZHEE-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.15
Rot. Bonds4

About 1-[2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.5]nonan-7-yl]propan-1-one

1-[2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.5]nonan-7-yl]propan-1-one (PubChem CID 176934433) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.5]nonan-7-yl]propan-1-one.

Molecular Properties

Compound Name1-[2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.5]nonan-7-yl]propan-1-one
PubChem CID176934433
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.5]nonan-7-yl]propan-1-one
SMILESCCC(=O)N1CCC2(CC1)CN(CCCC(C)(C)C)C2
InChIInChI=1S/C17H32N2O/c1-5-15(20)19-11-8-17(9-12-19)13-18(14-17)10-6-7-16(2,3)4/h5-14H2,1-4H3
InChIKeyVXMZCZTWRDZHEE-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane
CID 170584310
1-(2-sulfanyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one
CID 170184671
1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 155455482
4,4-dimethyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)pentan-1-one
CID 170065017
1-[2-(4-butyl-4-methyldecyl)-2,7-diazaspiro[3.5]nonan-7-yl]-2-ethylpentan-1-one
CID 167191191
1-[3-(3,3-dimethylbutanoyl)-3,9-diazaspiro[5.5]undecan-9-yl]-3,3-dimethylbutan-1-one
CID 166255184
ethane;1-[9-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-3-yl]propan-1-one
CID 155707184
1-(2,8-diazaspiro[4.5]decan-8-yl)propan-1-one;hydrochloride
CID 130744658
1-[7-(2-aminoethyl)-2,7-diazaspiro[3.4]octan-2-yl]propan-1-one;ethane
CID 170592194
tert-butyl 2-ethyl-2,7-diazaspiro[3.5]nonane-7-carboxylate
CID 145230287
1-(4-ethyl-4-hydroxypiperidin-1-yl)propan-1-one
CID 131155505
5-(2-azaspiro[3.3]heptan-2-yl)pentan-2-one
CID 167476884

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.5]nonan-7-yl]propan-1-one?
The IUPAC name of 1-[2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.5]nonan-7-yl]propan-1-one (CID 176934433) is 1-[2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.5]nonan-7-yl]propan-1-one.
What is the SMILES notation for 1-[2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.5]nonan-7-yl]propan-1-one?
The canonical SMILES for 1-[2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.5]nonan-7-yl]propan-1-one is CCC(=O)N1CCC2(CC1)CN(CCCC(C)(C)C)C2.
What is the InChIKey of 1-[2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.5]nonan-7-yl]propan-1-one?
The InChIKey is VXMZCZTWRDZHEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-5-15(20)19-11-8-17(9-12-19)13-18(14-17)10-6-7-16(2,3)4/h5-14H2,1-4H3.
What are the key properties of 1-[2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.5]nonan-7-yl]propan-1-one?
1-[2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.5]nonan-7-yl]propan-1-one has a molecular weight of 280.46 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,4-dimethylpentyl)-2,7-diazaspiro[3.5]nonan-7-yl]propan-1-one is sourced from PubChem (CID 176934433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).