[6-(2-ethylbutyl)-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

C20H37N3O — CID 126465312

IUPAC[6-(2-ethylbutyl)-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCCC(CC)CN1CCC2(CC1)CC2C(=O)N1CCCN(C)CC1
InChIInChI=1S/C20H37N3O/c1-4-17(5-2)16-22-11-7-20(8-12-22)15-18(20)19(24)23-10-6-9-21(3)13-14-23/h17-18H,4-16H2,1-3H3
InChIKeyJDIQIGPMOGCQLM-UHFFFAOYSA-N
MW335.54 g/mol
LogP2.69
Rot. Bonds5

About [6-(2-ethylbutyl)-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone

[6-(2-ethylbutyl)-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (PubChem CID 126465312) has the molecular formula C20H37N3O and a molecular weight of 335.54 g/mol. Its IUPAC name is [6-(2-ethylbutyl)-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.

Molecular Properties

Compound Name[6-(2-ethylbutyl)-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
PubChem CID126465312
Molecular FormulaC20H37N3O
Molecular Weight335.54 g/mol
Exact Mass335.29
IUPAC Name[6-(2-ethylbutyl)-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
SMILESCCC(CC)CN1CCC2(CC1)CC2C(=O)N1CCCN(C)CC1
InChIInChI=1S/C20H37N3O/c1-4-17(5-2)16-22-11-7-20(8-12-22)15-18(20)19(24)23-10-6-9-21(3)13-14-23/h17-18H,4-16H2,1-3H3
InChIKeyJDIQIGPMOGCQLM-UHFFFAOYSA-N
XLogP2.69
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.54
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[6-[(4-ethylphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 45216325
[6-[[(1R,5S)-6,6-dimethyl-2-bicyclo[3.1.1]hept-2-enyl]methyl]-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 45201757
[6-[(3-ethoxy-4-methoxyphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 126466560
[6-[(4-methoxy-3-methylphenyl)methyl]-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 45179643
[6-[(E)-3-(2-methoxyphenyl)prop-2-enyl]-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 56856094
[6-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone
CID 45179126
2-methyl-1-[(2R)-2-[(2R)-2-(4-methylpiperazine-1-carbonyl)-6-azaspiro[2.5]octane-6-carbonyl]piperidin-1-yl]propan-1-one
CID 97259917
5-azaspiro[2.4]heptan-2-yl-(4-methylpiperazin-1-yl)methanone;ethane
CID 166116859
6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175025
[6-[(3-methylpyrrolidin-3-yl)methyl]-6-azaspiro[2.5]octan-2-yl]-piperidin-1-ylmethanone;hydrochloride
CID 120905036
[4-(4-methylpiperazine-1-carbonyl)cyclohexyl]-pyrrolidin-1-ylmethanone
CID 109145589
[(2S)-6-(2-methylpropyl)-6-azaspiro[2.5]octan-2-yl]-[4-[(E)-3-phenylprop-2-enyl]piperazin-1-yl]methanone
CID 125155810

Frequently Asked Questions

What is the IUPAC name of [6-(2-ethylbutyl)-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The IUPAC name of [6-(2-ethylbutyl)-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone (CID 126465312) is [6-(2-ethylbutyl)-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone.
What is the SMILES notation for [6-(2-ethylbutyl)-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The canonical SMILES for [6-(2-ethylbutyl)-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is CCC(CC)CN1CCC2(CC1)CC2C(=O)N1CCCN(C)CC1.
What is the InChIKey of [6-(2-ethylbutyl)-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
The InChIKey is JDIQIGPMOGCQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N3O/c1-4-17(5-2)16-22-11-7-20(8-12-22)15-18(20)19(24)23-10-6-9-21(3)13-14-23/h17-18H,4-16H2,1-3H3.
What are the key properties of [6-(2-ethylbutyl)-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone?
[6-(2-ethylbutyl)-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone has a molecular weight of 335.54 g/mol, XLogP of 2.69, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(2-ethylbutyl)-6-azaspiro[2.5]octan-2-yl]-(4-methyl-1,4-diazepan-1-yl)methanone is sourced from PubChem (CID 126465312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).