butanal;ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane

C21H37N3O — CID 177040837

IUPACbutanal;ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane
SMILESCC.CCCC=O.CCCc1c(N2CCNC3(CC3)C2)ccnc1C
InChIInChI=1S/C15H23N3.C4H8O.C2H6/c1-3-4-13-12(2)16-8-5-14(13)18-10-9-17-15(11-18)6-7-15;1-2-3-4-5;1-2/h5,8,17H,3-4,6-7,9-11H2,1-2H3;4H,2-3H2,1H3;1-2H3
InChIKeyATFHJXNOMTYRPZ-UHFFFAOYSA-N
MW347.55 g/mol
LogP4.30
Rot. Bonds5

About butanal;ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane

butanal;ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane (PubChem CID 177040837) has the molecular formula C21H37N3O and a molecular weight of 347.55 g/mol. Its IUPAC name is butanal;ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane.

Molecular Properties

Compound Namebutanal;ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane
PubChem CID177040837
Molecular FormulaC21H37N3O
Molecular Weight347.55 g/mol
Exact Mass347.29
IUPAC Namebutanal;ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane
SMILESCC.CCCC=O.CCCc1c(N2CCNC3(CC3)C2)ccnc1C
InChIInChI=1S/C15H23N3.C4H8O.C2H6/c1-3-4-13-12(2)16-8-5-14(13)18-10-9-17-15(11-18)6-7-15;1-2-3-4-5;1-2/h5,8,17H,3-4,6-7,9-11H2,1-2H3;4H,2-3H2,1H3;1-2H3
InChIKeyATFHJXNOMTYRPZ-UHFFFAOYSA-N
XLogP4.30
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.55
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane;pentan-2-one
CID 177041228
8-(2-methyl-3-propyl-4-pyridinyl)-2-oxa-5,8-diazaspiro[3.5]nonane
CID 177040445
3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;2,6-dimethyl-5-propylpyrazolo[3,4-b]pyridine;pentan-2-one
CID 177040595
3,3-dimethyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;ethane;7-fluoro-2-methyl-6-propylimidazo[1,2-a]pyridine;pentan-2-one
CID 177040757
1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone
CID 177040248
1-[4-(4,7-diazaspiro[2.5]octan-7-yl)-2,3-dihydropyrrolo[2,3-b]pyridin-1-yl]ethanone;methane
CID 177040247
2-methyl-4-[(3R)-3-methylpyrrolidin-1-yl]-3-propylpyridine;pentan-2-one
CID 177040578
7-(5-fluoropyrimidin-2-yl)-4,7-diazaspiro[2.5]octane
CID 170607583
butanoyl fluoride;7-fluoro-2-methylimidazo[1,2-a]pyridine;methoxymethane;1-(2-methyl-3-propyl-4-pyridinyl)piperazine
CID 177040895
ethane;(Z)-2-ethoxy-N-methyl-N-[(E)-2-methylpent-1-enyl]-N'-[(E)-3-methylpent-2-en-2-yl]pent-2-enimidamide;3-methyl-1-(2-methyl-3-propyl-4-pyridinyl)piperazine;pentan-2-one
CID 177040426
2,4-dimethyl-3-propylpyridine
CID 14197863
2-[4-(1,7-diazaspiro[3.4]octan-7-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-methyl-1,3-thiazole
CID 165156706

Frequently Asked Questions

What is the IUPAC name of butanal;ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane?
The IUPAC name of butanal;ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane (CID 177040837) is butanal;ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane.
What is the SMILES notation for butanal;ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane?
The canonical SMILES for butanal;ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane is CC.CCCC=O.CCCc1c(N2CCNC3(CC3)C2)ccnc1C.
What is the InChIKey of butanal;ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane?
The InChIKey is ATFHJXNOMTYRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3.C4H8O.C2H6/c1-3-4-13-12(2)16-8-5-14(13)18-10-9-17-15(11-18)6-7-15;1-2-3-4-5;1-2/h5,8,17H,3-4,6-7,9-11H2,1-2H3;4H,2-3H2,1H3;1-2H3.
What are the key properties of butanal;ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane?
butanal;ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane has a molecular weight of 347.55 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butanal;ethane;7-(2-methyl-3-propyl-4-pyridinyl)-4,7-diazaspiro[2.5]octane is sourced from PubChem (CID 177040837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).