3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;methane;1-methylpiperidine

C25H57N5 — CID 158023506

IUPAC3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;methane;1-methylpiperidine
SMILESC.C.CN1CCC2(CC1)CCN(C)CC2.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C11H22N2.C6H14N2.C6H13N.2CH4/c1-12-7-3-11(4-8-12)5-9-13(2)10-6-11;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;;/h3-10H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;2*1H4
InChIKeyFGIKUXFEDBWSTC-UHFFFAOYSA-N
MW427.77 g/mol
LogP3.66
Rot. Bonds

About 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;methane;1-methylpiperidine

3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;methane;1-methylpiperidine (PubChem CID 158023506) has the molecular formula C25H57N5 and a molecular weight of 427.77 g/mol. Its IUPAC name is 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;methane;1-methylpiperidine.

Molecular Properties

Compound Name3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;methane;1-methylpiperidine
PubChem CID158023506
Molecular FormulaC25H57N5
Molecular Weight427.77 g/mol
Exact Mass427.46
IUPAC Name3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;methane;1-methylpiperidine
SMILESC.C.CN1CCC2(CC1)CCN(C)CC2.CN1CCCCC1.CN1CCN(C)CC1
InChIInChI=1S/C11H22N2.C6H14N2.C6H13N.2CH4/c1-12-7-3-11(4-8-12)5-9-13(2)10-6-11;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;;/h3-10H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;2*1H4
InChIKeyFGIKUXFEDBWSTC-UHFFFAOYSA-N
XLogP3.66
TPSA16.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.77
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;methane;1-methylpiperidine with MolForge

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Related Compounds

3-methyl-3-azaspiro[5.12]octadecane
CID 71021122
3-methyl-3-azaspiro[5.9]pentadecane
CID 170128255
1,4-dimethylpiperazine;ethane;methane;1-methylpiperidine
CID 161204219
methane;1-methylpiperidine;bis(1-methylpyrrolidine)
CID 158442091
methane;tris(1-methylpiperidine)
CID 162076357
1,4-dimethyl-1,4-diazecane;ethane
CID 143609892
1,4-dimethylpiperazine;ethane;1-methylpiperidine
CID 170707096
bis(1,4-dimethylpiperazine);ethane;tris(1-methylpiperidine)
CID 157233170
1-methylpiperidine
CID 160757527
1-methylpiperidine
CID 90254979
azane;ethane;methane;1-methylpiperidine
CID 159571038
CID 68772535
CID 68772535

Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;methane;1-methylpiperidine?
The IUPAC name of 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;methane;1-methylpiperidine (CID 158023506) is 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;methane;1-methylpiperidine.
What is the SMILES notation for 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;methane;1-methylpiperidine?
The canonical SMILES for 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;methane;1-methylpiperidine is C.C.CN1CCC2(CC1)CCN(C)CC2.CN1CCCCC1.CN1CCN(C)CC1.
What is the InChIKey of 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;methane;1-methylpiperidine?
The InChIKey is FGIKUXFEDBWSTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C6H14N2.C6H13N.2CH4/c1-12-7-3-11(4-8-12)5-9-13(2)10-6-11;1-7-3-5-8(2)6-4-7;1-7-5-3-2-4-6-7;;/h3-10H2,1-2H3;3-6H2,1-2H3;2-6H2,1H3;2*1H4.
What are the key properties of 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;methane;1-methylpiperidine?
3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;methane;1-methylpiperidine has a molecular weight of 427.77 g/mol, XLogP of 3.66, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;methane;1-methylpiperidine is sourced from PubChem (CID 158023506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).