8-[(2S)-5-methylhex-5-en-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

C24H36N4O2 — CID 26138583

IUPAC8-[(2S)-5-methylhex-5-en-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC=C(C)CC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CC(C)C
InChIInChI=1S/C24H36N4O2/c1-18(2)9-10-20(5)26-14-11-24(12-15-26)22(29)27(17-21-8-6-7-13-25-21)23(30)28(24)16-19(3)4/h6-8,13,19-20H,1,9-12,14-17H2,2-5H3/t20-/m0/s1
InChIKeyLJVOYJAIDNCNPP-FQEVSTJZSA-N
MW412.58 g/mol
LogP4.08
Rot. Bonds8

About 8-[(2S)-5-methylhex-5-en-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione

8-[(2S)-5-methylhex-5-en-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (PubChem CID 26138583) has the molecular formula C24H36N4O2 and a molecular weight of 412.58 g/mol. Its IUPAC name is 8-[(2S)-5-methylhex-5-en-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.

Molecular Properties

Compound Name8-[(2S)-5-methylhex-5-en-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
PubChem CID26138583
Molecular FormulaC24H36N4O2
Molecular Weight412.58 g/mol
Exact Mass412.28
IUPAC Name8-[(2S)-5-methylhex-5-en-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
SMILESC=C(C)CC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CC(C)C
InChIInChI=1S/C24H36N4O2/c1-18(2)9-10-20(5)26-14-11-24(12-15-26)22(29)27(17-21-8-6-7-13-25-21)23(30)28(24)16-19(3)4/h6-8,13,19-20H,1,9-12,14-17H2,2-5H3/t20-/m0/s1
InChIKeyLJVOYJAIDNCNPP-FQEVSTJZSA-N
XLogP4.08
TPSA56.75 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.58
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

8-[(2S)-butan-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26222211
8-[(2R)-1-methoxypropan-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26228990
8-[(2R)-2-methylbutyl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26137380
8-(2,2-dimethylpropyl)-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26139802
8-[(4-hydroxyphenyl)methyl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26225397
1-benzyl-8-[(2S)-1-hydroxypropan-2-yl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26231735
8-(2-ethoxyacetyl)-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166624209
8-[(2R)-1-hydroxypropan-2-yl]-1-(2-phenylethyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26214497
8-[(2S)-1-hydroxypropan-2-yl]-1-(3-methoxypropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26229646
1-benzyl-8-[(2R)-2-phenylpropyl]-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26139079
8-acetyl-3-[(2-methoxy-3-pyridinyl)methyl]-1-(2-methylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 166619987
1-(3-methylbutyl)-8-(pyridin-2-ylmethyl)-3-(3-pyridin-4-ylpropyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 26140687

Frequently Asked Questions

What is the IUPAC name of 8-[(2S)-5-methylhex-5-en-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The IUPAC name of 8-[(2S)-5-methylhex-5-en-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione (CID 26138583) is 8-[(2S)-5-methylhex-5-en-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione.
What is the SMILES notation for 8-[(2S)-5-methylhex-5-en-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The canonical SMILES for 8-[(2S)-5-methylhex-5-en-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is C=C(C)CC[C@H](C)N1CCC2(CC1)C(=O)N(Cc1ccccn1)C(=O)N2CC(C)C.
What is the InChIKey of 8-[(2S)-5-methylhex-5-en-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
The InChIKey is LJVOYJAIDNCNPP-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H36N4O2/c1-18(2)9-10-20(5)26-14-11-24(12-15-26)22(29)27(17-21-8-6-7-13-25-21)23(30)28(24)16-19(3)4/h6-8,13,19-20H,1,9-12,14-17H2,2-5H3/t20-/m0/s1.
What are the key properties of 8-[(2S)-5-methylhex-5-en-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione?
8-[(2S)-5-methylhex-5-en-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione has a molecular weight of 412.58 g/mol, XLogP of 4.08, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(2S)-5-methylhex-5-en-2-yl]-1-(2-methylpropyl)-3-(pyridin-2-ylmethyl)-1,3,8-triazaspiro[4.5]decane-2,4-dione is sourced from PubChem (CID 26138583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).