1-[2-(2-ethylhexyl)-7-azaspiro[3.5]nonan-7-yl]-2-propylpentan-1-one

C24H45NO — CID 167191195

IUPAC1-[2-(2-ethylhexyl)-7-azaspiro[3.5]nonan-7-yl]-2-propylpentan-1-one
SMILESCCCCC(CC)CC1CC2(CCN(C(=O)C(CCC)CCC)CC2)C1
InChIInChI=1S/C24H45NO/c1-5-9-12-20(8-4)17-21-18-24(19-21)13-15-25(16-14-24)23(26)22(10-6-2)11-7-3/h20-22H,5-19H2,1-4H3
InChIKeyMRKSBSYOKNFKAV-UHFFFAOYSA-N
MW363.63 g/mol
LogP6.83
Rot. Bonds11

About 1-[2-(2-ethylhexyl)-7-azaspiro[3.5]nonan-7-yl]-2-propylpentan-1-one

1-[2-(2-ethylhexyl)-7-azaspiro[3.5]nonan-7-yl]-2-propylpentan-1-one (PubChem CID 167191195) has the molecular formula C24H45NO and a molecular weight of 363.63 g/mol. Its IUPAC name is 1-[2-(2-ethylhexyl)-7-azaspiro[3.5]nonan-7-yl]-2-propylpentan-1-one.

Molecular Properties

Compound Name1-[2-(2-ethylhexyl)-7-azaspiro[3.5]nonan-7-yl]-2-propylpentan-1-one
PubChem CID167191195
Molecular FormulaC24H45NO
Molecular Weight363.63 g/mol
Exact Mass363.35
IUPAC Name1-[2-(2-ethylhexyl)-7-azaspiro[3.5]nonan-7-yl]-2-propylpentan-1-one
SMILESCCCCC(CC)CC1CC2(CCN(C(=O)C(CCC)CCC)CC2)C1
InChIInChI=1S/C24H45NO/c1-5-9-12-20(8-4)17-21-18-24(19-21)13-15-25(16-14-24)23(26)22(10-6-2)11-7-3/h20-22H,5-19H2,1-4H3
InChIKeyMRKSBSYOKNFKAV-UHFFFAOYSA-N
XLogP6.83
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.63
LogP ≤ 56.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-[9-(2-butylhexyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-pentylnonan-1-one
CID 166678575
2-ethyl-1-[2-(4-propylnonyl)-2,7-diazaspiro[3.5]nonan-7-yl]pentan-1-one
CID 167191869
1-morpholin-4-yl-2-propylhexan-1-one
CID 146231854
1-(4-propan-2-ylpiperazin-1-yl)-2-propylhexan-1-one
CID 166996653
(2S)-2-amino-1-(8-azaspiro[4.5]decan-8-yl)hexan-1-one
CID 95023526
1-(azetidin-1-yl)-2-ethylpentan-1-one
CID 146417085
1-(4-acetylpiperazin-1-yl)-2-ethylhexan-1-one
CID 145133773
2-ethyl-1-(4-hydroxypiperidin-1-yl)hexan-1-one
CID 43417122
1-[3-(2-aminoethyl)pyrrolidin-1-yl]-2-ethylhexan-1-one
CID 114802168
(2R)-2-(hydroxymethyl)-1-[2-(4-methylphenoxy)-7-azaspiro[3.5]nonan-7-yl]pentan-1-one
CID 170373663
1-[2-(4-butyl-4-methyldecyl)-2,7-diazaspiro[3.5]nonan-7-yl]-2-ethylpentan-1-one
CID 167191191
1-(3-aminopyrrolidin-1-yl)-2-propylpentan-1-one
CID 82987887

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-ethylhexyl)-7-azaspiro[3.5]nonan-7-yl]-2-propylpentan-1-one?
The IUPAC name of 1-[2-(2-ethylhexyl)-7-azaspiro[3.5]nonan-7-yl]-2-propylpentan-1-one (CID 167191195) is 1-[2-(2-ethylhexyl)-7-azaspiro[3.5]nonan-7-yl]-2-propylpentan-1-one.
What is the SMILES notation for 1-[2-(2-ethylhexyl)-7-azaspiro[3.5]nonan-7-yl]-2-propylpentan-1-one?
The canonical SMILES for 1-[2-(2-ethylhexyl)-7-azaspiro[3.5]nonan-7-yl]-2-propylpentan-1-one is CCCCC(CC)CC1CC2(CCN(C(=O)C(CCC)CCC)CC2)C1.
What is the InChIKey of 1-[2-(2-ethylhexyl)-7-azaspiro[3.5]nonan-7-yl]-2-propylpentan-1-one?
The InChIKey is MRKSBSYOKNFKAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45NO/c1-5-9-12-20(8-4)17-21-18-24(19-21)13-15-25(16-14-24)23(26)22(10-6-2)11-7-3/h20-22H,5-19H2,1-4H3.
What are the key properties of 1-[2-(2-ethylhexyl)-7-azaspiro[3.5]nonan-7-yl]-2-propylpentan-1-one?
1-[2-(2-ethylhexyl)-7-azaspiro[3.5]nonan-7-yl]-2-propylpentan-1-one has a molecular weight of 363.63 g/mol, XLogP of 6.83, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-ethylhexyl)-7-azaspiro[3.5]nonan-7-yl]-2-propylpentan-1-one is sourced from PubChem (CID 167191195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).