2-tert-butyl-7-[3-methyl-3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)butyl]-2,7-diazaspiro[4.4]nonane

C24H46N4 — CID 166881454

IUPAC2-tert-butyl-7-[3-methyl-3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)butyl]-2,7-diazaspiro[4.4]nonane
SMILESCN1CC2(CCN(C(C)(C)CCN3CCC4(CCN(C(C)(C)C)C4)C3)CC2)C1
InChIInChI=1S/C24H46N4/c1-21(2,3)28-16-11-24(20-28)8-13-26(19-24)12-7-22(4,5)27-14-9-23(10-15-27)17-25(6)18-23/h7-20H2,1-6H3
InChIKeyZFLSCBXXHJZHHE-UHFFFAOYSA-N
MW390.66 g/mol
LogP3.38
Rot. Bonds4

About 2-tert-butyl-7-[3-methyl-3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)butyl]-2,7-diazaspiro[4.4]nonane

2-tert-butyl-7-[3-methyl-3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)butyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 166881454) has the molecular formula C24H46N4 and a molecular weight of 390.66 g/mol. Its IUPAC name is 2-tert-butyl-7-[3-methyl-3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)butyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-tert-butyl-7-[3-methyl-3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)butyl]-2,7-diazaspiro[4.4]nonane
PubChem CID166881454
Molecular FormulaC24H46N4
Molecular Weight390.66 g/mol
Exact Mass390.37
IUPAC Name2-tert-butyl-7-[3-methyl-3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)butyl]-2,7-diazaspiro[4.4]nonane
SMILESCN1CC2(CCN(C(C)(C)CCN3CCC4(CCN(C(C)(C)C)C4)C3)CC2)C1
InChIInChI=1S/C24H46N4/c1-21(2,3)28-16-11-24(20-28)8-13-26(19-24)12-7-22(4,5)27-14-9-23(10-15-27)17-25(6)18-23/h7-20H2,1-6H3
InChIKeyZFLSCBXXHJZHHE-UHFFFAOYSA-N
XLogP3.38
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.66
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-7-[3-methyl-3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)butyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-tert-butyl-7-[3-methyl-3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)butyl]-2,7-diazaspiro[4.4]nonane (CID 166881454) is 2-tert-butyl-7-[3-methyl-3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)butyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-tert-butyl-7-[3-methyl-3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)butyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-tert-butyl-7-[3-methyl-3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)butyl]-2,7-diazaspiro[4.4]nonane is CN1CC2(CCN(C(C)(C)CCN3CCC4(CCN(C(C)(C)C)C4)C3)CC2)C1.
What is the InChIKey of 2-tert-butyl-7-[3-methyl-3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)butyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is ZFLSCBXXHJZHHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46N4/c1-21(2,3)28-16-11-24(20-28)8-13-26(19-24)12-7-22(4,5)27-14-9-23(10-15-27)17-25(6)18-23/h7-20H2,1-6H3.
What are the key properties of 2-tert-butyl-7-[3-methyl-3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)butyl]-2,7-diazaspiro[4.4]nonane?
2-tert-butyl-7-[3-methyl-3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)butyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 390.66 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-7-[3-methyl-3-(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)butyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 166881454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).