8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane

C18H29N3 — CID 134077416

IUPAC8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCCC(C)N1CCC2(CCN(Cc3cccnc3)C2)CC1
InChIInChI=1S/C18H29N3/c1-3-16(2)21-11-7-18(8-12-21)6-10-20(15-18)14-17-5-4-9-19-13-17/h4-5,9,13,16H,3,6-8,10-12,14-15H2,1-2H3
InChIKeyVEUGOOWSQZKZKK-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.17
Rot. Bonds4

About 8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane

8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane (PubChem CID 134077416) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
PubChem CID134077416
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
SMILESCCC(C)N1CCC2(CCN(Cc3cccnc3)C2)CC1
InChIInChI=1S/C18H29N3/c1-3-16(2)21-11-7-18(8-12-21)6-10-20(15-18)14-17-5-4-9-19-13-17/h4-5,9,13,16H,3,6-8,10-12,14-15H2,1-2H3
InChIKeyVEUGOOWSQZKZKK-UHFFFAOYSA-N
XLogP3.17
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2S)-butan-2-yl]-4-(pyridin-3-ylmethyl)piperazine
CID 786336
1-butan-2-yl-4-(pyridin-3-ylmethyl)piperidin-4-ol
CID 134435119
2-methyl-4-[[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]-1,3-thiazole
CID 97369906
2-(pyridin-3-ylmethyl)-8-(1H-pyrrol-3-yl)-2,8-diazaspiro[4.5]decane
CID 141455695
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
9-[(4-methylphenyl)methyl]-3-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecane
CID 97370659
morpholin-4-yl-[2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-8-yl]methanone
CID 97449404
8-[(4-methoxyphenyl)methyl]-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155845530
[7-(pyridin-3-ylmethyl)-2,7-diazaspiro[3.4]octan-2-yl]-pyrrolidin-1-ylmethanone
CID 97392828
9-(oxolan-2-ylmethyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[5.5]undecane
CID 134078868
8-(cyclopropylmethyl)-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane;tris(2,2,2-trifluoroacetic acid)
CID 155824993
9-(3-phenylpropyl)-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 45227788

Frequently Asked Questions

What is the IUPAC name of 8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane (CID 134077416) is 8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane is CCC(C)N1CCC2(CCN(Cc3cccnc3)C2)CC1.
What is the InChIKey of 8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane?
The InChIKey is VEUGOOWSQZKZKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-16(2)21-11-7-18(8-12-21)6-10-20(15-18)14-17-5-4-9-19-13-17/h4-5,9,13,16H,3,6-8,10-12,14-15H2,1-2H3.
What are the key properties of 8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane?
8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane has a molecular weight of 287.45 g/mol, XLogP of 3.17, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-butan-2-yl-2-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 134077416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).