1,7-dimethyl-1,7-diazaspiro[3.5]nonane;ethane;6-methyl-2,6-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane

C27H56N6 — CID 145216907

IUPAC1,7-dimethyl-1,7-diazaspiro[3.5]nonane;ethane;6-methyl-2,6-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CN1CCC2(CC1)CCN2C.CN1CCC2(CC1)CNC2.CN1CCCC2(CNC2)C1
InChIInChI=1S/C9H18N2.2C8H16N2.C2H6/c1-10-6-3-9(4-7-10)5-8-11(9)2;1-10-4-2-8(3-5-10)6-9-7-8;1-10-4-2-3-8(7-10)5-9-6-8;1-2/h3-8H2,1-2H3;2*9H,2-7H2,1H3;1-2H3
InChIKeyWPXZLUDTWXCUMN-UHFFFAOYSA-N
MW464.79 g/mol
LogP2.42
Rot. Bonds

About 1,7-dimethyl-1,7-diazaspiro[3.5]nonane;ethane;6-methyl-2,6-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane

1,7-dimethyl-1,7-diazaspiro[3.5]nonane;ethane;6-methyl-2,6-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane (PubChem CID 145216907) has the molecular formula C27H56N6 and a molecular weight of 464.79 g/mol. Its IUPAC name is 1,7-dimethyl-1,7-diazaspiro[3.5]nonane;ethane;6-methyl-2,6-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name1,7-dimethyl-1,7-diazaspiro[3.5]nonane;ethane;6-methyl-2,6-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane
PubChem CID145216907
Molecular FormulaC27H56N6
Molecular Weight464.79 g/mol
Exact Mass464.46
IUPAC Name1,7-dimethyl-1,7-diazaspiro[3.5]nonane;ethane;6-methyl-2,6-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane
SMILESCC.CN1CCC2(CC1)CCN2C.CN1CCC2(CC1)CNC2.CN1CCCC2(CNC2)C1
InChIInChI=1S/C9H18N2.2C8H16N2.C2H6/c1-10-6-3-9(4-7-10)5-8-11(9)2;1-10-4-2-8(3-5-10)6-9-7-8;1-10-4-2-3-8(7-10)5-9-6-8;1-2/h3-8H2,1-2H3;2*9H,2-7H2,1H3;1-2H3
InChIKeyWPXZLUDTWXCUMN-UHFFFAOYSA-N
XLogP2.42
TPSA37.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.79
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1,7-dimethyl-1,7-diazaspiro[3.5]nonane;ethane;6-methyl-2,6-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,7-dimethyl-1,7-diazaspiro[3.5]nonane;ethane;6-methyl-2,6-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 1,7-dimethyl-1,7-diazaspiro[3.5]nonane;ethane;6-methyl-2,6-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane (CID 145216907) is 1,7-dimethyl-1,7-diazaspiro[3.5]nonane;ethane;6-methyl-2,6-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 1,7-dimethyl-1,7-diazaspiro[3.5]nonane;ethane;6-methyl-2,6-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 1,7-dimethyl-1,7-diazaspiro[3.5]nonane;ethane;6-methyl-2,6-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane is CC.CN1CCC2(CC1)CCN2C.CN1CCC2(CC1)CNC2.CN1CCCC2(CNC2)C1.
What is the InChIKey of 1,7-dimethyl-1,7-diazaspiro[3.5]nonane;ethane;6-methyl-2,6-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane?
The InChIKey is WPXZLUDTWXCUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2.2C8H16N2.C2H6/c1-10-6-3-9(4-7-10)5-8-11(9)2;1-10-4-2-8(3-5-10)6-9-7-8;1-10-4-2-3-8(7-10)5-9-6-8;1-2/h3-8H2,1-2H3;2*9H,2-7H2,1H3;1-2H3.
What are the key properties of 1,7-dimethyl-1,7-diazaspiro[3.5]nonane;ethane;6-methyl-2,6-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane?
1,7-dimethyl-1,7-diazaspiro[3.5]nonane;ethane;6-methyl-2,6-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane has a molecular weight of 464.79 g/mol, XLogP of 2.42, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,7-dimethyl-1,7-diazaspiro[3.5]nonane;ethane;6-methyl-2,6-diazaspiro[3.5]nonane;7-methyl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 145216907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).