3-[2-(2,6-diazaspiro[3.5]nonan-6-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decane

C21H40N4 — CID 167259305

IUPAC3-[2-(2,6-diazaspiro[3.5]nonan-6-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decane
SMILESCC(C)N1CCCC2(CNC(CC(C)N3CCCC4(CNC4)C3)C2)C1
InChIInChI=1S/C21H40N4/c1-17(2)24-8-4-6-20(15-24)11-19(23-14-20)10-18(3)25-9-5-7-21(16-25)12-22-13-21/h17-19,22-23H,4-16H2,1-3H3
InChIKeyGLDDQVREKNHTJV-UHFFFAOYSA-N
MW348.58 g/mol
LogP2.30
Rot. Bonds4

About 3-[2-(2,6-diazaspiro[3.5]nonan-6-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decane

3-[2-(2,6-diazaspiro[3.5]nonan-6-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decane (PubChem CID 167259305) has the molecular formula C21H40N4 and a molecular weight of 348.58 g/mol. Its IUPAC name is 3-[2-(2,6-diazaspiro[3.5]nonan-6-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name3-[2-(2,6-diazaspiro[3.5]nonan-6-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decane
PubChem CID167259305
Molecular FormulaC21H40N4
Molecular Weight348.58 g/mol
Exact Mass348.33
IUPAC Name3-[2-(2,6-diazaspiro[3.5]nonan-6-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decane
SMILESCC(C)N1CCCC2(CNC(CC(C)N3CCCC4(CNC4)C3)C2)C1
InChIInChI=1S/C21H40N4/c1-17(2)24-8-4-6-20(15-24)11-19(23-14-20)10-18(3)25-9-5-7-21(16-25)12-22-13-21/h17-19,22-23H,4-16H2,1-3H3
InChIKeyGLDDQVREKNHTJV-UHFFFAOYSA-N
XLogP2.30
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.58
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,6-diazaspiro[3.5]nonan-6-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decane?
The IUPAC name of 3-[2-(2,6-diazaspiro[3.5]nonan-6-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decane (CID 167259305) is 3-[2-(2,6-diazaspiro[3.5]nonan-6-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 3-[2-(2,6-diazaspiro[3.5]nonan-6-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 3-[2-(2,6-diazaspiro[3.5]nonan-6-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decane is CC(C)N1CCCC2(CNC(CC(C)N3CCCC4(CNC4)C3)C2)C1.
What is the InChIKey of 3-[2-(2,6-diazaspiro[3.5]nonan-6-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decane?
The InChIKey is GLDDQVREKNHTJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N4/c1-17(2)24-8-4-6-20(15-24)11-19(23-14-20)10-18(3)25-9-5-7-21(16-25)12-22-13-21/h17-19,22-23H,4-16H2,1-3H3.
What are the key properties of 3-[2-(2,6-diazaspiro[3.5]nonan-6-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decane?
3-[2-(2,6-diazaspiro[3.5]nonan-6-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decane has a molecular weight of 348.58 g/mol, XLogP of 2.30, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,6-diazaspiro[3.5]nonan-6-yl)propyl]-7-propan-2-yl-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 167259305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).