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

C17H32N2O — CID 157048753

IUPAC4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one
SMILESCCCN1CCC2(CC1)CN(C(=O)CCC(C)CC)C2
InChIInChI=1S/C17H32N2O/c1-4-10-18-11-8-17(9-12-18)13-19(14-17)16(20)7-6-15(3)5-2/h15H,4-14H2,1-3H3
InChIKeyKMGXCAOEOGWSBX-UHFFFAOYSA-N
MW280.46 g/mol
LogP3.15
Rot. Bonds6

About 4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one

4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one (PubChem CID 157048753) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one.

Molecular Properties

Compound Name4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one
PubChem CID157048753
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one
SMILESCCCN1CCC2(CC1)CN(C(=O)CCC(C)CC)C2
InChIInChI=1S/C17H32N2O/c1-4-10-18-11-8-17(9-12-18)13-19(14-17)16(20)7-6-15(3)5-2/h15H,4-14H2,1-3H3
InChIKeyKMGXCAOEOGWSBX-UHFFFAOYSA-N
XLogP3.15
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one?
The IUPAC name of 4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one (CID 157048753) is 4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one.
What is the SMILES notation for 4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one?
The canonical SMILES for 4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one is CCCN1CCC2(CC1)CN(C(=O)CCC(C)CC)C2.
What is the InChIKey of 4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one?
The InChIKey is KMGXCAOEOGWSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-4-10-18-11-8-17(9-12-18)13-19(14-17)16(20)7-6-15(3)5-2/h15H,4-14H2,1-3H3.
What are the key properties of 4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one?
4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one has a molecular weight of 280.46 g/mol, XLogP of 3.15, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(7-propyl-2,7-diazaspiro[3.5]nonan-2-yl)hexan-1-one is sourced from PubChem (CID 157048753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).