3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethylpyrazine;2,5-dimethylpyrimidine;1-methylpiperidine

C42H80N10 — CID 157175587

IUPAC3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethylpyrazine;2,5-dimethylpyrimidine;1-methylpiperidine
SMILESCC1CCN(C)CC1.CN1CCC2(CC1)CCN(C)CC2.CN1CCCCC1.CN1CCN(C)CC1.Cc1cnc(C)cn1.Cc1cnc(C)nc1
InChIInChI=1S/C11H22N2.C7H15N.C6H14N2.2C6H8N2.C6H13N/c1-12-7-3-11(4-8-12)5-9-13(2)10-6-11;2*1-7-3-5-8(2)6-4-7;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-7-5-3-2-4-6-7/h3-10H2,1-2H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;2*3-4H,1-2H3;2-6H2,1H3
InChIKeyANYQHNSVVPZGQK-UHFFFAOYSA-N
MW725.17 g/mol
LogP5.92
Rot. Bonds

About 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethylpyrazine;2,5-dimethylpyrimidine;1-methylpiperidine

3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethylpyrazine;2,5-dimethylpyrimidine;1-methylpiperidine (PubChem CID 157175587) has the molecular formula C42H80N10 and a molecular weight of 725.17 g/mol. Its IUPAC name is 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethylpyrazine;2,5-dimethylpyrimidine;1-methylpiperidine.

Molecular Properties

Compound Name3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethylpyrazine;2,5-dimethylpyrimidine;1-methylpiperidine
PubChem CID157175587
Molecular FormulaC42H80N10
Molecular Weight725.17 g/mol
Exact Mass724.66
IUPAC Name3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethylpyrazine;2,5-dimethylpyrimidine;1-methylpiperidine
SMILESCC1CCN(C)CC1.CN1CCC2(CC1)CCN(C)CC2.CN1CCCCC1.CN1CCN(C)CC1.Cc1cnc(C)cn1.Cc1cnc(C)nc1
InChIInChI=1S/C11H22N2.C7H15N.C6H14N2.2C6H8N2.C6H13N/c1-12-7-3-11(4-8-12)5-9-13(2)10-6-11;2*1-7-3-5-8(2)6-4-7;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-7-5-3-2-4-6-7/h3-10H2,1-2H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;2*3-4H,1-2H3;2-6H2,1H3
InChIKeyANYQHNSVVPZGQK-UHFFFAOYSA-N
XLogP5.92
TPSA71.00 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500725.17
LogP ≤ 55.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethylpyrazine;2,5-dimethylpyrimidine;1-methylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethylpyrazine;2,5-dimethylpyrimidine;1-methylpiperidine?
The IUPAC name of 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethylpyrazine;2,5-dimethylpyrimidine;1-methylpiperidine (CID 157175587) is 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethylpyrazine;2,5-dimethylpyrimidine;1-methylpiperidine.
What is the SMILES notation for 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethylpyrazine;2,5-dimethylpyrimidine;1-methylpiperidine?
The canonical SMILES for 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethylpyrazine;2,5-dimethylpyrimidine;1-methylpiperidine is CC1CCN(C)CC1.CN1CCC2(CC1)CCN(C)CC2.CN1CCCCC1.CN1CCN(C)CC1.Cc1cnc(C)cn1.Cc1cnc(C)nc1.
What is the InChIKey of 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethylpyrazine;2,5-dimethylpyrimidine;1-methylpiperidine?
The InChIKey is ANYQHNSVVPZGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2.C7H15N.C6H14N2.2C6H8N2.C6H13N/c1-12-7-3-11(4-8-12)5-9-13(2)10-6-11;2*1-7-3-5-8(2)6-4-7;1-5-3-8-6(2)4-7-5;1-5-3-7-6(2)8-4-5;1-7-5-3-2-4-6-7/h3-10H2,1-2H3;7H,3-6H2,1-2H3;3-6H2,1-2H3;2*3-4H,1-2H3;2-6H2,1H3.
What are the key properties of 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethylpyrazine;2,5-dimethylpyrimidine;1-methylpiperidine?
3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethylpyrazine;2,5-dimethylpyrimidine;1-methylpiperidine has a molecular weight of 725.17 g/mol, XLogP of 5.92, 0 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3,9-dimethyl-3,9-diazaspiro[5.5]undecane;1,4-dimethylpiperazine;1,4-dimethylpiperidine;2,5-dimethylpyrazine;2,5-dimethylpyrimidine;1-methylpiperidine is sourced from PubChem (CID 157175587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).