N-[5-(aminomethyl)pyrazin-2-yl]-N-methylmethanimidamide;methane;methanimidamide;8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen

C24H42N8O3 — CID 144882850

IUPACN-[5-(aminomethyl)pyrazin-2-yl]-N-methylmethanimidamide;methane;methanimidamide;8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen
SMILESC.CC1=C(N2CCC3(CCC(C)CC3)C2=O)COC1=O.[H]/N=C/N.[H]/N=C/N(C)c1cnc(CN)cn1.[H][H]
InChIInChI=1S/C15H21NO3.C7H11N5.CH4N2.CH4.H2/c1-10-3-5-15(6-4-10)7-8-16(14(15)18)12-9-19-13(17)11(12)2;1-12(5-9)7-4-10-6(2-8)3-11-7;2-1-3;;/h10H,3-9H2,1-2H3;3-5,9H,2,8H2,1H3;1H,(H3,2,3);1H4;1H/b;9-5+;;;
InChIKeyJWNNYMOUUACLHK-QNLMYODPSA-N
MW490.65 g/mol
LogP2.66
Rot. Bonds4

About N-[5-(aminomethyl)pyrazin-2-yl]-N-methylmethanimidamide;methane;methanimidamide;8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen

N-[5-(aminomethyl)pyrazin-2-yl]-N-methylmethanimidamide;methane;methanimidamide;8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen (PubChem CID 144882850) has the molecular formula C24H42N8O3 and a molecular weight of 490.65 g/mol. Its IUPAC name is N-[5-(aminomethyl)pyrazin-2-yl]-N-methylmethanimidamide;methane;methanimidamide;8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen.

Molecular Properties

Compound NameN-[5-(aminomethyl)pyrazin-2-yl]-N-methylmethanimidamide;methane;methanimidamide;8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen
PubChem CID144882850
Molecular FormulaC24H42N8O3
Molecular Weight490.65 g/mol
Exact Mass490.34
IUPAC NameN-[5-(aminomethyl)pyrazin-2-yl]-N-methylmethanimidamide;methane;methanimidamide;8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen
SMILESC.CC1=C(N2CCC3(CCC(C)CC3)C2=O)COC1=O.[H]/N=C/N.[H]/N=C/N(C)c1cnc(CN)cn1.[H][H]
InChIInChI=1S/C15H21NO3.C7H11N5.CH4N2.CH4.H2/c1-10-3-5-15(6-4-10)7-8-16(14(15)18)12-9-19-13(17)11(12)2;1-12(5-9)7-4-10-6(2-8)3-11-7;2-1-3;;/h10H,3-9H2,1-2H3;3-5,9H,2,8H2,1H3;1H,(H3,2,3);1H4;1H/b;9-5+;;;
InChIKeyJWNNYMOUUACLHK-QNLMYODPSA-N
XLogP2.66
TPSA175.37 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.65
LogP ≤ 52.66
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen;[6-(tetrazol-1-yl)pyridazin-3-yl]methanamine
CID 144885549
8-[[6-[(diazenyl-λ3-iodanylidene)methylamino]-3-pyridinyl]methylamino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 144882894
N-hydrazinylidene-N'-[5-[(1S)-2-hydroxy-1-[methyl-[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]-2-pyridinyl]methanimidamide
CID 135212360
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[methyl-[[2-(tetrazol-1-yl)-1,3-thiazol-5-yl]methyl]amino]-2-azaspiro[4.5]decan-1-one
CID 118233086
N-hydrazinylidene-N'-[5-[(1R)-1-[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]ethyl]pyrazin-2-yl]methanimidamide
CID 135212334
N-hydrazinylidene-N'-[6-[[[2-(4-methyl-5-oxo-2H-furan-3-yl)-1-oxo-2-azaspiro[4.5]decan-8-yl]amino]methyl]pyridazin-3-yl]methanimidamide
CID 135212075
8-[[(2Z,4E)-2,5-diamino-5-[ethenyl-(methylideneamino)amino]penta-2,4-dienyl]amino]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one
CID 135212238
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[2-[5-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]ethyl]-2-azaspiro[4.5]decan-1-one
CID 147293928
3,3-diethyl-1-(4-methyl-5-oxo-2H-furan-3-yl)pyrrolidin-2-one
CID 135212214
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[6-(tetrazol-2-yl)pyridazin-3-yl]methylamino]-2-azaspiro[4.5]decan-1-one
CID 118225217
8-[(2S)-2-(4-chloro-1-oxo-3H-2-benzofuran-5-yl)-2-hydroxyethyl]-2-(4-methyl-5-oxo-2H-furan-3-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 122657873
2-(4-methyl-5-oxo-2H-furan-3-yl)-8-[[4-methyl-6-(tetrazol-1-yl)pyridazin-3-yl]methylamino]-2-azaspiro[4.5]decan-1-one
CID 118233012

Frequently Asked Questions

What is the IUPAC name of N-[5-(aminomethyl)pyrazin-2-yl]-N-methylmethanimidamide;methane;methanimidamide;8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen?
The IUPAC name of N-[5-(aminomethyl)pyrazin-2-yl]-N-methylmethanimidamide;methane;methanimidamide;8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen (CID 144882850) is N-[5-(aminomethyl)pyrazin-2-yl]-N-methylmethanimidamide;methane;methanimidamide;8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen.
What is the SMILES notation for N-[5-(aminomethyl)pyrazin-2-yl]-N-methylmethanimidamide;methane;methanimidamide;8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen?
The canonical SMILES for N-[5-(aminomethyl)pyrazin-2-yl]-N-methylmethanimidamide;methane;methanimidamide;8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen is C.CC1=C(N2CCC3(CCC(C)CC3)C2=O)COC1=O.[H]/N=C/N.[H]/N=C/N(C)c1cnc(CN)cn1.[H][H].
What is the InChIKey of N-[5-(aminomethyl)pyrazin-2-yl]-N-methylmethanimidamide;methane;methanimidamide;8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen?
The InChIKey is JWNNYMOUUACLHK-QNLMYODPSA-N. The full InChI is InChI=1S/C15H21NO3.C7H11N5.CH4N2.CH4.H2/c1-10-3-5-15(6-4-10)7-8-16(14(15)18)12-9-19-13(17)11(12)2;1-12(5-9)7-4-10-6(2-8)3-11-7;2-1-3;;/h10H,3-9H2,1-2H3;3-5,9H,2,8H2,1H3;1H,(H3,2,3);1H4;1H/b;9-5+;;;.
What are the key properties of N-[5-(aminomethyl)pyrazin-2-yl]-N-methylmethanimidamide;methane;methanimidamide;8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen?
N-[5-(aminomethyl)pyrazin-2-yl]-N-methylmethanimidamide;methane;methanimidamide;8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen has a molecular weight of 490.65 g/mol, XLogP of 2.66, 4 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(aminomethyl)pyrazin-2-yl]-N-methylmethanimidamide;methane;methanimidamide;8-methyl-2-(4-methyl-5-oxo-2H-furan-3-yl)-2-azaspiro[4.5]decan-1-one;molecular hydrogen is sourced from PubChem (CID 144882850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).