5-methyl-1-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one

C17H32N2O — CID 164720078

IUPAC5-methyl-1-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one
SMILESCC(C)CCCC(=O)N1CC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C17H32N2O/c1-14(2)6-5-7-16(20)19-12-17(13-19)8-10-18(11-9-17)15(3)4/h14-15H,5-13H2,1-4H3
InChIKeyOLXINKQNYYDKJI-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.15
Rot. Bonds5

About 5-methyl-1-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one

5-methyl-1-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one (PubChem CID 164720078) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 5-methyl-1-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one.

Molecular Properties

Compound Name5-methyl-1-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one
PubChem CID164720078
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name5-methyl-1-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one
SMILESCC(C)CCCC(=O)N1CC2(CCN(C(C)C)CC2)C1
InChIInChI=1S/C17H32N2O/c1-14(2)6-5-7-16(20)19-12-17(13-19)8-10-18(11-9-17)15(3)4/h14-15H,5-13H2,1-4H3
InChIKeyOLXINKQNYYDKJI-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
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-(5-azaspiro[2.4]heptan-5-yl)-4-methylpentan-1-one
CID 166169822
4-methyl-1-(4-propan-2-ylpiperazin-1-yl)pentan-1-one
CID 58450079
1-(4-hydroxy-3,3-dimethylpiperidin-1-yl)-5-methylhexan-1-one
CID 115276540
1-(3,4-dihydroxypyrrolidin-1-yl)-5-methylhexan-1-one
CID 130410946
5-methyl-1-[4-(4-methylpentyl)piperazin-1-yl]hexan-1-one
CID 171725805
3,3-dimethyl-1-(5-methylhexanoyl)piperidin-4-one
CID 115276610
propan-2-one;6-propan-2-yl-6-azaspiro[2.5]octane
CID 170791695
5-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 82852237
4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one
CID 157048753
15-methyl-1-piperidin-1-ylhexadecan-1-one
CID 57076776
1-(2,7-diazaspiro[3.5]nonan-7-yl)-4-methylpentan-1-one
CID 137433036
1-(7-propan-2-yl-2,7-diazaspiro[3.4]octan-2-yl)-3-(1H-pyrrol-2-yl)propan-1-one
CID 131691561

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one?
The IUPAC name of 5-methyl-1-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one (CID 164720078) is 5-methyl-1-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one.
What is the SMILES notation for 5-methyl-1-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one?
The canonical SMILES for 5-methyl-1-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one is CC(C)CCCC(=O)N1CC2(CCN(C(C)C)CC2)C1.
What is the InChIKey of 5-methyl-1-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one?
The InChIKey is OLXINKQNYYDKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-14(2)6-5-7-16(20)19-12-17(13-19)8-10-18(11-9-17)15(3)4/h14-15H,5-13H2,1-4H3.
What are the key properties of 5-methyl-1-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one?
5-methyl-1-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one has a molecular weight of 280.46 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(7-propan-2-yl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one is sourced from PubChem (CID 164720078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).