2-ethyl-1-[2-(4-propylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pentan-1-one

C26H50N2O — CID 167191869

IUPAC2-ethyl-1-[2-(4-propylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pentan-1-one
SMILESCCCCCC(CCC)CCCN1CC2(CCN(C(=O)C(CC)CCC)CC2)C1
InChIInChI=1S/C26H50N2O/c1-5-9-10-14-23(12-6-2)15-11-18-27-21-26(22-27)16-19-28(20-17-26)25(29)24(8-4)13-7-3/h23-24H,5-22H2,1-4H3
InChIKeyHWERHXCJPXDNPN-UHFFFAOYSA-N
MW406.70 g/mol
LogP6.51
Rot. Bonds14

About 2-ethyl-1-[2-(4-propylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pentan-1-one

2-ethyl-1-[2-(4-propylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pentan-1-one (PubChem CID 167191869) has the molecular formula C26H50N2O and a molecular weight of 406.70 g/mol. Its IUPAC name is 2-ethyl-1-[2-(4-propylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pentan-1-one.

Molecular Properties

Compound Name2-ethyl-1-[2-(4-propylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pentan-1-one
PubChem CID167191869
Molecular FormulaC26H50N2O
Molecular Weight406.70 g/mol
Exact Mass406.39
IUPAC Name2-ethyl-1-[2-(4-propylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pentan-1-one
SMILESCCCCCC(CCC)CCCN1CC2(CCN(C(=O)C(CC)CCC)CC2)C1
InChIInChI=1S/C26H50N2O/c1-5-9-10-14-23(12-6-2)15-11-18-27-21-26(22-27)16-19-28(20-17-26)25(29)24(8-4)13-7-3/h23-24H,5-22H2,1-4H3
InChIKeyHWERHXCJPXDNPN-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-ethyl-1-[2-(4-propylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pentan-1-one with MolForge

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Related Compounds

1-[2-(4-butyl-4-methyldecyl)-2,7-diazaspiro[3.5]nonan-7-yl]-2-ethylpentan-1-one
CID 167191191
2-methyl-1-[2-(4-methylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]octan-1-one
CID 170007008
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
1-[9-(2-butylhexyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-pentylnonan-1-one
CID 166678575
1-[2-(2-ethylhexyl)-7-azaspiro[3.5]nonan-7-yl]-2-propylpentan-1-one
CID 167191195
1-(2-butyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one;ethane
CID 170584310
1-(azetidin-1-yl)-2-ethylpentan-1-one
CID 146417085
1-(4-butylpiperazin-1-yl)-2-ethylbutan-1-one
CID 113072769
2-methyl-1-(2-pent-4-enyl-2,7-diazaspiro[3.5]nonan-7-yl)propan-1-one
CID 155455481
1-(2-ethylhexanoyl)-3-methylpyrrolidine-3-carboxylic acid
CID 63146734
1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
CID 145133773

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1-[2-(4-propylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pentan-1-one?
The IUPAC name of 2-ethyl-1-[2-(4-propylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pentan-1-one (CID 167191869) is 2-ethyl-1-[2-(4-propylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pentan-1-one.
What is the SMILES notation for 2-ethyl-1-[2-(4-propylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pentan-1-one?
The canonical SMILES for 2-ethyl-1-[2-(4-propylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pentan-1-one is CCCCCC(CCC)CCCN1CC2(CCN(C(=O)C(CC)CCC)CC2)C1.
What is the InChIKey of 2-ethyl-1-[2-(4-propylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pentan-1-one?
The InChIKey is HWERHXCJPXDNPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H50N2O/c1-5-9-10-14-23(12-6-2)15-11-18-27-21-26(22-27)16-19-28(20-17-26)25(29)24(8-4)13-7-3/h23-24H,5-22H2,1-4H3.
What are the key properties of 2-ethyl-1-[2-(4-propylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pentan-1-one?
2-ethyl-1-[2-(4-propylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pentan-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-ethyl-1-[2-(4-propylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pentan-1-one is sourced from PubChem (CID 167191869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).