2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-ethyl-2,7-diazaspiro[3.4]octane

C17H32N4 — CID 126759678

IUPAC2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-ethyl-2,7-diazaspiro[3.4]octane
SMILESCCN1CCC2(C1)CN(CC(C)N1CC3(CCCN3)C1)C2
InChIInChI=1S/C17H32N4/c1-3-19-8-6-16(10-19)11-20(12-16)9-15(2)21-13-17(14-21)5-4-7-18-17/h15,18H,3-14H2,1-2H3
InChIKeyIEOJPZKZASSXDV-UHFFFAOYSA-N
MW292.47 g/mol
LogP0.84
Rot. Bonds4

About 2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-ethyl-2,7-diazaspiro[3.4]octane

2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-ethyl-2,7-diazaspiro[3.4]octane (PubChem CID 126759678) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is 2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-ethyl-2,7-diazaspiro[3.4]octane.

Molecular Properties

Compound Name2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-ethyl-2,7-diazaspiro[3.4]octane
PubChem CID126759678
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-ethyl-2,7-diazaspiro[3.4]octane
SMILESCCN1CCC2(C1)CN(CC(C)N1CC3(CCCN3)C1)C2
InChIInChI=1S/C17H32N4/c1-3-19-8-6-16(10-19)11-20(12-16)9-15(2)21-13-17(14-21)5-4-7-18-17/h15,18H,3-14H2,1-2H3
InChIKeyIEOJPZKZASSXDV-UHFFFAOYSA-N
XLogP0.84
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-ethyl-2,7-diazaspiro[3.4]octane?
The IUPAC name of 2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-ethyl-2,7-diazaspiro[3.4]octane (CID 126759678) is 2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-ethyl-2,7-diazaspiro[3.4]octane.
What is the SMILES notation for 2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-ethyl-2,7-diazaspiro[3.4]octane?
The canonical SMILES for 2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-ethyl-2,7-diazaspiro[3.4]octane is CCN1CCC2(C1)CN(CC(C)N1CC3(CCCN3)C1)C2.
What is the InChIKey of 2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-ethyl-2,7-diazaspiro[3.4]octane?
The InChIKey is IEOJPZKZASSXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-3-19-8-6-16(10-19)11-20(12-16)9-15(2)21-13-17(14-21)5-4-7-18-17/h15,18H,3-14H2,1-2H3.
What are the key properties of 2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-ethyl-2,7-diazaspiro[3.4]octane?
2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-ethyl-2,7-diazaspiro[3.4]octane has a molecular weight of 292.47 g/mol, XLogP of 0.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,5-diazaspiro[3.4]octan-2-yl)propyl]-7-ethyl-2,7-diazaspiro[3.4]octane is sourced from PubChem (CID 126759678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).