2-tert-butyl-6-[2-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-methylpropyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane

C29H56N4 — CID 170068641

IUPAC2-tert-butyl-6-[2-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-methylpropyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCC(C)N1CCC2(CC1CC(C)(C)N1CC3(CCN(C(C)(C)C)CC3)C1)CN(C(C)(C)C)C2
InChIInChI=1S/C29H56N4/c1-23(2)33-16-13-29(21-31(22-29)26(6,7)8)18-24(33)17-27(9,10)32-19-28(20-32)11-14-30(15-12-28)25(3,4)5/h23-24H,11-22H2,1-10H3
InChIKeyBEPMDABNGPICRD-UHFFFAOYSA-N
MW460.80 g/mol
LogP5.32
Rot. Bonds4

About 2-tert-butyl-6-[2-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-methylpropyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane

2-tert-butyl-6-[2-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-methylpropyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane (PubChem CID 170068641) has the molecular formula C29H56N4 and a molecular weight of 460.80 g/mol. Its IUPAC name is 2-tert-butyl-6-[2-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-methylpropyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-tert-butyl-6-[2-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-methylpropyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
PubChem CID170068641
Molecular FormulaC29H56N4
Molecular Weight460.80 g/mol
Exact Mass460.45
IUPAC Name2-tert-butyl-6-[2-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-methylpropyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
SMILESCC(C)N1CCC2(CC1CC(C)(C)N1CC3(CCN(C(C)(C)C)CC3)C1)CN(C(C)(C)C)C2
InChIInChI=1S/C29H56N4/c1-23(2)33-16-13-29(21-31(22-29)26(6,7)8)18-24(33)17-27(9,10)32-19-28(20-32)11-14-30(15-12-28)25(3,4)5/h23-24H,11-22H2,1-10H3
InChIKeyBEPMDABNGPICRD-UHFFFAOYSA-N
XLogP5.32
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.80
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-tert-butyl-6-[2-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-methylpropyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane with MolForge

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Launch Full Analysis

Related Compounds

2-[(1-tert-butylpiperidin-4-yl)methyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane
CID 170669704
2,6-ditert-butyl-2,6-diazaspiro[3.3]heptane;1,4-ditert-butylpiperazine
CID 159767975
2-tert-butyl-7-(2,2-dimethylpropyl)-2,7-diazaspiro[3.5]nonane
CID 171406778
7-tert-butyl-2-fluoro-7-azaspiro[3.5]nonane
CID 154931410
2,6-ditert-butyl-2-azaspiro[3.3]heptane;2,6-ditert-butyl-2-azaspiro[3.4]octane;2,6-ditert-butyl-6-azaspiro[3.4]octane
CID 161082636
2-tert-butyl-2-azaspiro[3.3]heptane
CID 58166810
2-tert-butyl-7-[5-(2-tert-butyl-2-azaspiro[3.5]nonan-7-yl)-2,5-dimethylhexan-2-yl]-7-azaspiro[3.5]nonane
CID 170068685
5-tert-butyl-2-[(1-tert-butylpiperidin-4-yl)methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole;2-tert-butyl-8-propan-2-yl-2,8-diazaspiro[4.5]decane
CID 167617800
2-tert-butyl-2-azaspiro[4.4]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;6-tert-butyl-6-azaspiro[3.4]octane
CID 167549222
2-tert-butyl-7-[(4-tert-butylpiperazin-1-yl)methyl]-2-azaspiro[3.5]nonane
CID 176795458
3-tert-butyl-3-azabicyclo[3.2.1]octane;2-tert-butyl-2-azaspiro[3.3]heptane;2-tert-butyl-2-azaspiro[3.5]nonane;7-tert-butyl-7-azaspiro[3.5]nonane;2-tert-butyl-2-azaspiro[3.4]octane
CID 163559928
7-(azetidin-3-ylmethyl)-2-tert-butyl-2,7-diazaspiro[3.5]nonane
CID 172511446

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-[2-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-methylpropyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-tert-butyl-6-[2-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-methylpropyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane (CID 170068641) is 2-tert-butyl-6-[2-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-methylpropyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-tert-butyl-6-[2-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-methylpropyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-tert-butyl-6-[2-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-methylpropyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane is CC(C)N1CCC2(CC1CC(C)(C)N1CC3(CCN(C(C)(C)C)CC3)C1)CN(C(C)(C)C)C2.
What is the InChIKey of 2-tert-butyl-6-[2-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-methylpropyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
The InChIKey is BEPMDABNGPICRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H56N4/c1-23(2)33-16-13-29(21-31(22-29)26(6,7)8)18-24(33)17-27(9,10)32-19-28(20-32)11-14-30(15-12-28)25(3,4)5/h23-24H,11-22H2,1-10H3.
What are the key properties of 2-tert-butyl-6-[2-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-methylpropyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane?
2-tert-butyl-6-[2-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-methylpropyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane has a molecular weight of 460.80 g/mol, XLogP of 5.32, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-[2-(7-tert-butyl-2,7-diazaspiro[3.5]nonan-2-yl)-2-methylpropyl]-7-propan-2-yl-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 170068641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).