5,8-dimethyl-5-azaspiro[2.5]octane;1,2,4,6-tetramethylpiperidine;1,3,4,5-tetramethylpiperidine;1,2,4-trimethylpiperidine;1,3,4-trimethylpiperidine

C43H89N5 — CID 159653201

IUPAC5,8-dimethyl-5-azaspiro[2.5]octane;1,2,4,6-tetramethylpiperidine;1,3,4,5-tetramethylpiperidine;1,2,4-trimethylpiperidine;1,3,4-trimethylpiperidine
SMILESCC1CC(C)N(C)C(C)C1.CC1CCN(C)C(C)C1.CC1CCN(C)CC12CC2.CC1CCN(C)CC1C.CC1CN(C)CC(C)C1C
InChIInChI=1S/C9H17N.2C9H19N.2C8H17N/c1-8-3-6-10(2)7-9(8)4-5-9;1-7-5-10(4)6-8(2)9(7)3;1-7-5-8(2)10(4)9(3)6-7;1-7-4-5-9(3)6-8(7)2;1-7-4-5-9(3)8(2)6-7/h8H,3-7H2,1-2H3;2*7-9H,5-6H2,1-4H3;2*7-8H,4-6H2,1-3H3
InChIKeyMRVKLTPSUMQXTL-UHFFFAOYSA-N
MW676.22 g/mol
LogP9.03
Rot. Bonds

About 5,8-dimethyl-5-azaspiro[2.5]octane;1,2,4,6-tetramethylpiperidine;1,3,4,5-tetramethylpiperidine;1,2,4-trimethylpiperidine;1,3,4-trimethylpiperidine

5,8-dimethyl-5-azaspiro[2.5]octane;1,2,4,6-tetramethylpiperidine;1,3,4,5-tetramethylpiperidine;1,2,4-trimethylpiperidine;1,3,4-trimethylpiperidine (PubChem CID 159653201) has the molecular formula C43H89N5 and a molecular weight of 676.22 g/mol. Its IUPAC name is 5,8-dimethyl-5-azaspiro[2.5]octane;1,2,4,6-tetramethylpiperidine;1,3,4,5-tetramethylpiperidine;1,2,4-trimethylpiperidine;1,3,4-trimethylpiperidine.

Molecular Properties

Compound Name5,8-dimethyl-5-azaspiro[2.5]octane;1,2,4,6-tetramethylpiperidine;1,3,4,5-tetramethylpiperidine;1,2,4-trimethylpiperidine;1,3,4-trimethylpiperidine
PubChem CID159653201
Molecular FormulaC43H89N5
Molecular Weight676.22 g/mol
Exact Mass675.71
IUPAC Name5,8-dimethyl-5-azaspiro[2.5]octane;1,2,4,6-tetramethylpiperidine;1,3,4,5-tetramethylpiperidine;1,2,4-trimethylpiperidine;1,3,4-trimethylpiperidine
SMILESCC1CC(C)N(C)C(C)C1.CC1CCN(C)C(C)C1.CC1CCN(C)CC12CC2.CC1CCN(C)CC1C.CC1CN(C)CC(C)C1C
InChIInChI=1S/C9H17N.2C9H19N.2C8H17N/c1-8-3-6-10(2)7-9(8)4-5-9;1-7-5-10(4)6-8(2)9(7)3;1-7-5-8(2)10(4)9(3)6-7;1-7-4-5-9(3)6-8(7)2;1-7-4-5-9(3)8(2)6-7/h8H,3-7H2,1-2H3;2*7-9H,5-6H2,1-4H3;2*7-8H,4-6H2,1-3H3
InChIKeyMRVKLTPSUMQXTL-UHFFFAOYSA-N
XLogP9.03
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500676.22
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5,8-dimethyl-5-azaspiro[2.5]octane;1,2,4,6-tetramethylpiperidine;1,3,4,5-tetramethylpiperidine;1,2,4-trimethylpiperidine;1,3,4-trimethylpiperidine with MolForge

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Launch Full Analysis

Related Compounds

3-[(1-Fluorocyclopropyl)methyl]-9-methyl-11-(9-methyl-3-propan-2-yl-3,9-diazaspiro[5.5]undecan-10-yl)-3,9-diazaspiro[5.5]undecane
CID 170015859
3-Methyl-1-[7-(3-methyl-1-azoniabicyclo[2.2.2]octan-1-yl)heptyl]-1-azoniabicyclo[2.2.2]octane
CID 3063634
1-[1,3-Bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-4-[1-[1,3-bis[4-(1,1-dimethylpiperidin-1-ium-4-yl)-1-methylpiperidin-1-ium-1-yl]propan-2-yl]-1-methylpiperidin-1-ium-4-yl]-1-methylpiperidin-1-ium
CID 54501538
1-Hexadecyl-4-[6-(4-hexadecyl-1,4-diazoniabicyclo[2.2.2]octan-1-yl)-2,3,4,5-tetramethylhexyl]-1,4-diazoniabicyclo[2.2.2]octane
CID 57831551
N-[8,8-dimethyl-1,1-bis(1-methylpiperidin-4-yl)nonan-2-yl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 67680686
1-methyl-N-(1-methylpiperidin-4-yl)-N-[1,2,2-tris(1-methylpiperidin-4-yl)ethyl]piperidin-4-amine
CID 67680689
N-[2,2-bis(1-methylpiperidin-4-yl)tetradecyl]-1-methyl-N-(1-methylpiperidin-4-yl)piperidin-4-amine
CID 67680708
2-[2-(1,4-Diazabicyclo[2.2.2]octan-2-yl)-1-methylcyclohexyl]-1,4-diazabicyclo[2.2.2]octane
CID 140412584
1-Tert-butyl-4-[1-[5-[4-(4-cyclopropylpiperazin-1-yl)piperidin-1-yl]-2-[2-[4-(4-ethylpiperazin-1-yl)piperidin-1-yl]propan-2-yl]-3,4,5-trimethyl-3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]-4-[4-(4-propan-2-ylpiperazin-1-yl)piperidin-1-yl]hexan-2-yl]piperidin-4-yl]piperazine
CID 146369195
2-Tert-butyl-5-(piperidin-1-ylmethyl)-1-azabicyclo[2.2.2]octane
CID 146415657
4-[3-(1-Ethylpiperidin-4-yl)-2,3,6-trimethyl-6-(1-methylpiperidin-4-yl)heptan-2-yl]-3-[2-methyl-2-(1-methylpiperidin-3-yl)propyl]-1-propan-2-ylpiperidine
CID 155459364
Potassium;ethane;1-methylpiperidin-4-ide;4-methylpiperidin-1-ide;1-methyl-4-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine;4-methyl-1-[(1-propan-2-ylpiperidin-4-yl)methyl]piperidine
CID 156707582

Frequently Asked Questions

What is the IUPAC name of 5,8-dimethyl-5-azaspiro[2.5]octane;1,2,4,6-tetramethylpiperidine;1,3,4,5-tetramethylpiperidine;1,2,4-trimethylpiperidine;1,3,4-trimethylpiperidine?
The IUPAC name of 5,8-dimethyl-5-azaspiro[2.5]octane;1,2,4,6-tetramethylpiperidine;1,3,4,5-tetramethylpiperidine;1,2,4-trimethylpiperidine;1,3,4-trimethylpiperidine (CID 159653201) is 5,8-dimethyl-5-azaspiro[2.5]octane;1,2,4,6-tetramethylpiperidine;1,3,4,5-tetramethylpiperidine;1,2,4-trimethylpiperidine;1,3,4-trimethylpiperidine.
What is the SMILES notation for 5,8-dimethyl-5-azaspiro[2.5]octane;1,2,4,6-tetramethylpiperidine;1,3,4,5-tetramethylpiperidine;1,2,4-trimethylpiperidine;1,3,4-trimethylpiperidine?
The canonical SMILES for 5,8-dimethyl-5-azaspiro[2.5]octane;1,2,4,6-tetramethylpiperidine;1,3,4,5-tetramethylpiperidine;1,2,4-trimethylpiperidine;1,3,4-trimethylpiperidine is CC1CC(C)N(C)C(C)C1.CC1CCN(C)C(C)C1.CC1CCN(C)CC12CC2.CC1CCN(C)CC1C.CC1CN(C)CC(C)C1C.
What is the InChIKey of 5,8-dimethyl-5-azaspiro[2.5]octane;1,2,4,6-tetramethylpiperidine;1,3,4,5-tetramethylpiperidine;1,2,4-trimethylpiperidine;1,3,4-trimethylpiperidine?
The InChIKey is MRVKLTPSUMQXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N.2C9H19N.2C8H17N/c1-8-3-6-10(2)7-9(8)4-5-9;1-7-5-10(4)6-8(2)9(7)3;1-7-5-8(2)10(4)9(3)6-7;1-7-4-5-9(3)6-8(7)2;1-7-4-5-9(3)8(2)6-7/h8H,3-7H2,1-2H3;2*7-9H,5-6H2,1-4H3;2*7-8H,4-6H2,1-3H3.
What are the key properties of 5,8-dimethyl-5-azaspiro[2.5]octane;1,2,4,6-tetramethylpiperidine;1,3,4,5-tetramethylpiperidine;1,2,4-trimethylpiperidine;1,3,4-trimethylpiperidine?
5,8-dimethyl-5-azaspiro[2.5]octane;1,2,4,6-tetramethylpiperidine;1,3,4,5-tetramethylpiperidine;1,2,4-trimethylpiperidine;1,3,4-trimethylpiperidine has a molecular weight of 676.22 g/mol, XLogP of 9.03, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dimethyl-5-azaspiro[2.5]octane;1,2,4,6-tetramethylpiperidine;1,3,4,5-tetramethylpiperidine;1,2,4-trimethylpiperidine;1,3,4-trimethylpiperidine is sourced from PubChem (CID 159653201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).