2-[2,4-dimethyl-4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane

C23H44N4 — CID 129149576

IUPAC2-[2,4-dimethyl-4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CC1)CCN(C(C)(C)CC(C)(C)N1CCC3(CN(C)C3)C1)C2
InChIInChI=1S/C23H44N4/c1-20(2,26-13-9-22(18-26)7-11-24(5)12-8-22)15-21(3,4)27-14-10-23(19-27)16-25(6)17-23/h7-19H2,1-6H3
InChIKeyXMMSRLIAKMUZIT-UHFFFAOYSA-N
MW376.63 g/mol
LogP2.99
Rot. Bonds4

About 2-[2,4-dimethyl-4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane

2-[2,4-dimethyl-4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane (PubChem CID 129149576) has the molecular formula C23H44N4 and a molecular weight of 376.63 g/mol. Its IUPAC name is 2-[2,4-dimethyl-4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[2,4-dimethyl-4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane
PubChem CID129149576
Molecular FormulaC23H44N4
Molecular Weight376.63 g/mol
Exact Mass376.36
IUPAC Name2-[2,4-dimethyl-4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane
SMILESCN1CCC2(CC1)CCN(C(C)(C)CC(C)(C)N1CCC3(CN(C)C3)C1)C2
InChIInChI=1S/C23H44N4/c1-20(2,26-13-9-22(18-26)7-11-24(5)12-8-22)15-21(3,4)27-14-10-23(19-27)16-25(6)17-23/h7-19H2,1-6H3
InChIKeyXMMSRLIAKMUZIT-UHFFFAOYSA-N
XLogP2.99
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2,4-dimethyl-4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2,4-dimethyl-4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[2,4-dimethyl-4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane (CID 129149576) is 2-[2,4-dimethyl-4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[2,4-dimethyl-4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[2,4-dimethyl-4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane is CN1CCC2(CC1)CCN(C(C)(C)CC(C)(C)N1CCC3(CN(C)C3)C1)C2.
What is the InChIKey of 2-[2,4-dimethyl-4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane?
The InChIKey is XMMSRLIAKMUZIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4/c1-20(2,26-13-9-22(18-26)7-11-24(5)12-8-22)15-21(3,4)27-14-10-23(19-27)16-25(6)17-23/h7-19H2,1-6H3.
What are the key properties of 2-[2,4-dimethyl-4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane?
2-[2,4-dimethyl-4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane has a molecular weight of 376.63 g/mol, XLogP of 2.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-dimethyl-4-(2-methyl-2,6-diazaspiro[3.4]octan-6-yl)pentan-2-yl]-8-methyl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 129149576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).