3-ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane

C22H42N4 — CID 126748039

IUPAC3-ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane
SMILESCCN1CCC2(CCNCC2)C(C2CN(C(C)C)CCC23CCNC3)C1
InChIInChI=1S/C22H42N4/c1-4-25-13-8-21(5-10-23-11-6-21)19(15-25)20-16-26(18(2)3)14-9-22(20)7-12-24-17-22/h18-20,23-24H,4-17H2,1-3H3
InChIKeyZOKANSKMWQSYOH-UHFFFAOYSA-N
MW362.61 g/mol
LogP2.41
Rot. Bonds3

About 3-ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane

3-ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane (PubChem CID 126748039) has the molecular formula C22H42N4 and a molecular weight of 362.61 g/mol. Its IUPAC name is 3-ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name3-ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane
PubChem CID126748039
Molecular FormulaC22H42N4
Molecular Weight362.61 g/mol
Exact Mass362.34
IUPAC Name3-ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane
SMILESCCN1CCC2(CCNCC2)C(C2CN(C(C)C)CCC23CCNC3)C1
InChIInChI=1S/C22H42N4/c1-4-25-13-8-21(5-10-23-11-6-21)19(15-25)20-16-26(18(2)3)14-9-22(20)7-12-24-17-22/h18-20,23-24H,4-17H2,1-3H3
InChIKeyZOKANSKMWQSYOH-UHFFFAOYSA-N
XLogP2.41
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.61
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane?
The IUPAC name of 3-ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane (CID 126748039) is 3-ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 3-ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane?
The canonical SMILES for 3-ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane is CCN1CCC2(CCNCC2)C(C2CN(C(C)C)CCC23CCNC3)C1.
What is the InChIKey of 3-ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane?
The InChIKey is ZOKANSKMWQSYOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H42N4/c1-4-25-13-8-21(5-10-23-11-6-21)19(15-25)20-16-26(18(2)3)14-9-22(20)7-12-24-17-22/h18-20,23-24H,4-17H2,1-3H3.
What are the key properties of 3-ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane?
3-ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane has a molecular weight of 362.61 g/mol, XLogP of 2.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-(8-propan-2-yl-2,8-diazaspiro[4.5]decan-6-yl)-3,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 126748039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).