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

C26H50N2O — CID 170007008

IUPAC2-methyl-1-[2-(4-methylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]octan-1-one
SMILESCCCCCCC(C)C(=O)N1CCC2(CC1)CN(CCCC(C)CCCCC)C2
InChIInChI=1S/C26H50N2O/c1-5-7-9-11-15-24(4)25(29)28-19-16-26(17-20-28)21-27(22-26)18-12-14-23(3)13-10-8-6-2/h23-24H,5-22H2,1-4H3
InChIKeyZFMYMPQQXXHYCO-UHFFFAOYSA-N
MW406.70 g/mol
LogP6.51
Rot. Bonds14

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

2-methyl-1-[2-(4-methylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]octan-1-one (PubChem CID 170007008) has the molecular formula C26H50N2O and a molecular weight of 406.70 g/mol. Its IUPAC name is 2-methyl-1-[2-(4-methylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]octan-1-one.

Molecular Properties

Compound Name2-methyl-1-[2-(4-methylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]octan-1-one
PubChem CID170007008
Molecular FormulaC26H50N2O
Molecular Weight406.70 g/mol
Exact Mass406.39
IUPAC Name2-methyl-1-[2-(4-methylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]octan-1-one
SMILESCCCCCCC(C)C(=O)N1CCC2(CC1)CN(CCCC(C)CCCCC)C2
InChIInChI=1S/C26H50N2O/c1-5-7-9-11-15-24(4)25(29)28-19-16-26(17-20-28)21-27(22-26)18-12-14-23(3)13-10-8-6-2/h23-24H,5-22H2,1-4H3
InChIKeyZFMYMPQQXXHYCO-UHFFFAOYSA-N
XLogP6.51
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.70
LogP ≤ 56.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methyl-1-[2-(4-methylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]octan-1-one with MolForge

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Related Compounds

2-methyl-1-[2-(4-methyloctyl)-2,7-diazaspiro[3.5]nonan-7-yl]octan-1-one
CID 166679050
1-(2-hexyl-2,7-diazaspiro[3.5]nonan-7-yl)ethanone
CID 155455482
2-ethyl-1-[2-(4-propylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pentan-1-one
CID 167191869
1-[2-(4-butyl-4-methyldecyl)-2,7-diazaspiro[3.5]nonan-7-yl]-2-ethylpentan-1-one
CID 167191191
1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane
CID 170584310
2-methyl-1-(2-pent-4-enyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one
CID 155455481
1-[9-(2-butylhexyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-pentylnonan-1-one
CID 166678575
9-methyl-1-pyrrolidin-1-yltetradecan-1-one
CID 91705079
1-[4-(aminomethyl)piperidin-1-yl]-2-methylheptan-1-one
CID 175666657
4-methyl-1-[9-(2-methylheptyl)-3,9-diazaspiro[5.5]undecan-3-yl]pentan-1-one
CID 166678947
2-methyl-1-piperazin-1-ylhexan-1-one
CID 53216088
2,11-dimethylhexadecanoic acid
CID 22251936

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[2-(4-methylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]octan-1-one?
The IUPAC name of 2-methyl-1-[2-(4-methylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]octan-1-one (CID 170007008) is 2-methyl-1-[2-(4-methylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]octan-1-one.
What is the SMILES notation for 2-methyl-1-[2-(4-methylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]octan-1-one?
The canonical SMILES for 2-methyl-1-[2-(4-methylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]octan-1-one is CCCCCCC(C)C(=O)N1CCC2(CC1)CN(CCCC(C)CCCCC)C2.
What is the InChIKey of 2-methyl-1-[2-(4-methylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]octan-1-one?
The InChIKey is ZFMYMPQQXXHYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N2O/c1-5-7-9-11-15-24(4)25(29)28-19-16-26(17-20-28)21-27(22-26)18-12-14-23(3)13-10-8-6-2/h23-24H,5-22H2,1-4H3.
What are the key properties of 2-methyl-1-[2-(4-methylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]octan-1-one?
2-methyl-1-[2-(4-methylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]octan-1-one has a molecular weight of 406.70 g/mol, XLogP of 6.51, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[2-(4-methylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]octan-1-one is sourced from PubChem (CID 170007008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).