1-[5-[7-[2-(2,6-diazaspiro[3.4]octan-6-yl)propan-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]hexan-2-yl]-1,8-diazaspiro[4.5]decane

C30H56N6 — CID 174154462

IUPAC1-[5-[7-[2-(2,6-diazaspiro[3.4]octan-6-yl)propan-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]hexan-2-yl]-1,8-diazaspiro[4.5]decane
SMILESCC(CCC(C)N1CCCC12CCNCC2)N1CC2(CCN(C(C)(C)N3CCC4(CNC4)C3)CC2)C1
InChIInChI=1S/C30H56N6/c1-25(6-7-26(2)36-16-5-8-30(36)9-14-31-15-10-30)33-22-28(23-33)11-17-34(18-12-28)27(3,4)35-19-13-29(24-35)20-32-21-29/h25-26,31-32H,5-24H2,1-4H3
InChIKeyYUXAKXTUGIFGPT-UHFFFAOYSA-N
MW500.82 g/mol
LogP3.19
Rot. Bonds7

About 1-[5-[7-[2-(2,6-diazaspiro[3.4]octan-6-yl)propan-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]hexan-2-yl]-1,8-diazaspiro[4.5]decane

1-[5-[7-[2-(2,6-diazaspiro[3.4]octan-6-yl)propan-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]hexan-2-yl]-1,8-diazaspiro[4.5]decane (PubChem CID 174154462) has the molecular formula C30H56N6 and a molecular weight of 500.82 g/mol. Its IUPAC name is 1-[5-[7-[2-(2,6-diazaspiro[3.4]octan-6-yl)propan-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]hexan-2-yl]-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name1-[5-[7-[2-(2,6-diazaspiro[3.4]octan-6-yl)propan-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]hexan-2-yl]-1,8-diazaspiro[4.5]decane
PubChem CID174154462
Molecular FormulaC30H56N6
Molecular Weight500.82 g/mol
Exact Mass500.46
IUPAC Name1-[5-[7-[2-(2,6-diazaspiro[3.4]octan-6-yl)propan-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]hexan-2-yl]-1,8-diazaspiro[4.5]decane
SMILESCC(CCC(C)N1CCCC12CCNCC2)N1CC2(CCN(C(C)(C)N3CCC4(CNC4)C3)CC2)C1
InChIInChI=1S/C30H56N6/c1-25(6-7-26(2)36-16-5-8-30(36)9-14-31-15-10-30)33-22-28(23-33)11-17-34(18-12-28)27(3,4)35-19-13-29(24-35)20-32-21-29/h25-26,31-32H,5-24H2,1-4H3
InChIKeyYUXAKXTUGIFGPT-UHFFFAOYSA-N
XLogP3.19
TPSA37.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.82
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-[7-[2-(2,6-diazaspiro[3.4]octan-6-yl)propan-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]hexan-2-yl]-1,8-diazaspiro[4.5]decane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[7-[2-(2,6-diazaspiro[3.4]octan-6-yl)propan-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]hexan-2-yl]-1,8-diazaspiro[4.5]decane?
The IUPAC name of 1-[5-[7-[2-(2,6-diazaspiro[3.4]octan-6-yl)propan-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]hexan-2-yl]-1,8-diazaspiro[4.5]decane (CID 174154462) is 1-[5-[7-[2-(2,6-diazaspiro[3.4]octan-6-yl)propan-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]hexan-2-yl]-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 1-[5-[7-[2-(2,6-diazaspiro[3.4]octan-6-yl)propan-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]hexan-2-yl]-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 1-[5-[7-[2-(2,6-diazaspiro[3.4]octan-6-yl)propan-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]hexan-2-yl]-1,8-diazaspiro[4.5]decane is CC(CCC(C)N1CCCC12CCNCC2)N1CC2(CCN(C(C)(C)N3CCC4(CNC4)C3)CC2)C1.
What is the InChIKey of 1-[5-[7-[2-(2,6-diazaspiro[3.4]octan-6-yl)propan-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]hexan-2-yl]-1,8-diazaspiro[4.5]decane?
The InChIKey is YUXAKXTUGIFGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H56N6/c1-25(6-7-26(2)36-16-5-8-30(36)9-14-31-15-10-30)33-22-28(23-33)11-17-34(18-12-28)27(3,4)35-19-13-29(24-35)20-32-21-29/h25-26,31-32H,5-24H2,1-4H3.
What are the key properties of 1-[5-[7-[2-(2,6-diazaspiro[3.4]octan-6-yl)propan-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]hexan-2-yl]-1,8-diazaspiro[4.5]decane?
1-[5-[7-[2-(2,6-diazaspiro[3.4]octan-6-yl)propan-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]hexan-2-yl]-1,8-diazaspiro[4.5]decane has a molecular weight of 500.82 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[7-[2-(2,6-diazaspiro[3.4]octan-6-yl)propan-2-yl]-2,7-diazaspiro[3.5]nonan-2-yl]hexan-2-yl]-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 174154462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).