3-[1-(7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane

C23H44N4 — CID 135200097

IUPAC3-[1-(7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCCC2(CCN(CC(C)N3CCC4(CCNCC4)CC3)C2)C1
InChIInChI=1S/C23H44N4/c1-20(2)27-13-4-5-23(19-27)8-14-25(18-23)17-21(3)26-15-9-22(10-16-26)6-11-24-12-7-22/h20-21,24H,4-19H2,1-3H3
InChIKeyCAPKOBMZNIELDZ-UHFFFAOYSA-N
MW376.63 g/mol
LogP3.04
Rot. Bonds4

About 3-[1-(7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane

3-[1-(7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane (PubChem CID 135200097) has the molecular formula C23H44N4 and a molecular weight of 376.63 g/mol. Its IUPAC name is 3-[1-(7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-[1-(7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane
PubChem CID135200097
Molecular FormulaC23H44N4
Molecular Weight376.63 g/mol
Exact Mass376.36
IUPAC Name3-[1-(7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane
SMILESCC(C)N1CCCC2(CCN(CC(C)N3CCC4(CCNCC4)CC3)C2)C1
InChIInChI=1S/C23H44N4/c1-20(2)27-13-4-5-23(19-27)8-14-25(18-23)17-21(3)26-15-9-22(10-16-26)6-11-24-12-7-22/h20-21,24H,4-19H2,1-3H3
InChIKeyCAPKOBMZNIELDZ-UHFFFAOYSA-N
XLogP3.04
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-[1-(7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane (CID 135200097) is 3-[1-(7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-[1-(7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-[1-(7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane is CC(C)N1CCCC2(CCN(CC(C)N3CCC4(CCNCC4)CC3)C2)C1.
What is the InChIKey of 3-[1-(7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane?
The InChIKey is CAPKOBMZNIELDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H44N4/c1-20(2)27-13-4-5-23(19-27)8-14-25(18-23)17-21(3)26-15-9-22(10-16-26)6-11-24-12-7-22/h20-21,24H,4-19H2,1-3H3.
What are the key properties of 3-[1-(7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane?
3-[1-(7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane has a molecular weight of 376.63 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(7-propan-2-yl-2,7-diazaspiro[4.5]decan-2-yl)propan-2-yl]-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 135200097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).