7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;ethane;propane

C23H44N4 — CID 171069474

IUPAC7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;ethane;propane
SMILESC1=C\C=N\CCC(CN2CCC3(CC2)CNC3)CCN/C=C/1.CC.CCC
InChIInChI=1S/C18H30N4.C3H8.C2H6/c1-2-8-19-10-4-17(5-11-20-9-3-1)14-22-12-6-18(7-13-22)15-21-16-18;1-3-2;1-2/h1-3,8-9,17,19,21H,4-7,10-16H2;3H2,1-2H3;1-2H3/b3-1-,8-2+,20-9+;;
InChIKeyDLXVAKRPQNGCCL-LNPQMXJMSA-N
MW376.63 g/mol
LogP4.25
Rot. Bonds2

About 7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;ethane;propane

7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;ethane;propane (PubChem CID 171069474) has the molecular formula C23H44N4 and a molecular weight of 376.63 g/mol. Its IUPAC name is 7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;ethane;propane.

Molecular Properties

Compound Name7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;ethane;propane
PubChem CID171069474
Molecular FormulaC23H44N4
Molecular Weight376.63 g/mol
Exact Mass376.36
IUPAC Name7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;ethane;propane
SMILESC1=C\C=N\CCC(CN2CCC3(CC2)CNC3)CCN/C=C/1.CC.CCC
InChIInChI=1S/C18H30N4.C3H8.C2H6/c1-2-8-19-10-4-17(5-11-20-9-3-1)14-22-12-6-18(7-13-22)15-21-16-18;1-3-2;1-2/h1-3,8-9,17,19,21H,4-7,10-16H2;3H2,1-2H3;1-2H3/b3-1-,8-2+,20-9+;;
InChIKeyDLXVAKRPQNGCCL-LNPQMXJMSA-N
XLogP4.25
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.63
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;ethane;propane with MolForge

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Related Compounds

ethane;(Z)-3-[[2-[(1-methylpiperidin-4-yl)methyl]-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine
CID 171069662
ethane;(Z)-3-[[2-(piperidin-4-ylmethyl)-2-azaspiro[3.3]heptan-6-yl]imino]prop-1-en-1-amine
CID 171069755
7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane
CID 171069475

Frequently Asked Questions

What is the IUPAC name of 7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;ethane;propane?
The IUPAC name of 7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;ethane;propane (CID 171069474) is 7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;ethane;propane.
What is the SMILES notation for 7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;ethane;propane?
The canonical SMILES for 7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;ethane;propane is C1=C\C=N\CCC(CN2CCC3(CC2)CNC3)CCN/C=C/1.CC.CCC.
What is the InChIKey of 7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;ethane;propane?
The InChIKey is DLXVAKRPQNGCCL-LNPQMXJMSA-N. The full InChI is InChI=1S/C18H30N4.C3H8.C2H6/c1-2-8-19-10-4-17(5-11-20-9-3-1)14-22-12-6-18(7-13-22)15-21-16-18;1-3-2;1-2/h1-3,8-9,17,19,21H,4-7,10-16H2;3H2,1-2H3;1-2H3/b3-1-,8-2+,20-9+;;.
What are the key properties of 7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;ethane;propane?
7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;ethane;propane has a molecular weight of 376.63 g/mol, XLogP of 4.25, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(9Z,11E)-1,7-diazacyclododeca-7,9,11-trien-4-yl]methyl]-2,7-diazaspiro[3.5]nonane;ethane;propane is sourced from PubChem (CID 171069474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).