7-benzyl-4,7-diazaspiro[2.5]octane;7-benzyl-6-ethyl-4,7-diazaspiro[2.5]octane;ethane

C30H46N4 — CID 142410738

IUPAC7-benzyl-4,7-diazaspiro[2.5]octane;7-benzyl-6-ethyl-4,7-diazaspiro[2.5]octane;ethane
SMILESCC.CCC1CNC2(CC2)CN1Cc1ccccc1.c1ccc(CN2CCNC3(CC3)C2)cc1
InChIInChI=1S/C15H22N2.C13H18N2.C2H6/c1-2-14-10-16-15(8-9-15)12-17(14)11-13-6-4-3-5-7-13;1-2-4-12(5-3-1)10-15-9-8-14-13(11-15)6-7-13;1-2/h3-7,14,16H,2,8-12H2,1H3;1-5,14H,6-11H2;1-2H3
InChIKeyCGVUOILHSQEJKX-UHFFFAOYSA-N
MW462.73 g/mol
LogP5.05
Rot. Bonds5

About 7-benzyl-4,7-diazaspiro[2.5]octane;7-benzyl-6-ethyl-4,7-diazaspiro[2.5]octane;ethane

7-benzyl-4,7-diazaspiro[2.5]octane;7-benzyl-6-ethyl-4,7-diazaspiro[2.5]octane;ethane (PubChem CID 142410738) has the molecular formula C30H46N4 and a molecular weight of 462.73 g/mol. Its IUPAC name is 7-benzyl-4,7-diazaspiro[2.5]octane;7-benzyl-6-ethyl-4,7-diazaspiro[2.5]octane;ethane.

Molecular Properties

Compound Name7-benzyl-4,7-diazaspiro[2.5]octane;7-benzyl-6-ethyl-4,7-diazaspiro[2.5]octane;ethane
PubChem CID142410738
Molecular FormulaC30H46N4
Molecular Weight462.73 g/mol
Exact Mass462.37
IUPAC Name7-benzyl-4,7-diazaspiro[2.5]octane;7-benzyl-6-ethyl-4,7-diazaspiro[2.5]octane;ethane
SMILESCC.CCC1CNC2(CC2)CN1Cc1ccccc1.c1ccc(CN2CCNC3(CC3)C2)cc1
InChIInChI=1S/C15H22N2.C13H18N2.C2H6/c1-2-14-10-16-15(8-9-15)12-17(14)11-13-6-4-3-5-7-13;1-2-4-12(5-3-1)10-15-9-8-14-13(11-15)6-7-13;1-2/h3-7,14,16H,2,8-12H2,1H3;1-5,14H,6-11H2;1-2H3
InChIKeyCGVUOILHSQEJKX-UHFFFAOYSA-N
XLogP5.05
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.73
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

9-benzyl-8-propyl-6,9-diazaspiro[4.5]decane
CID 64877176
1-benzyl-2,5-diethyl-5-methylpiperazine
CID 64849828
8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64876595
(5R)-9-benzyl-1,9-diazaspiro[4.5]decane
CID 86332339
9-[(2-chlorophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64875826
9-[(2-bromophenyl)methyl]-8-ethyl-6,9-diazaspiro[4.5]decane
CID 64877165
3-benzyl-4-ethyl-1,4-diazaspiro[5.5]undecane
CID 64877822
8-ethyl-9-(thiophen-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64875635
(6S)-8-benzyl-6-methyl-2-oxa-5,8-diazaspiro[3.5]nonane;8-benzyl-2-oxa-5,8-diazaspiro[3.5]nonane
CID 171828702
4-[(3-methylphenyl)methyl]-1,4-diazaspiro[5.5]undecane
CID 64831883
9-(2-phenylethyl)-6,9-diazaspiro[4.5]decane
CID 64834067
ethane;7-ethyl-4,7-diazaspiro[2.5]octane
CID 176567452

Frequently Asked Questions

What is the IUPAC name of 7-benzyl-4,7-diazaspiro[2.5]octane;7-benzyl-6-ethyl-4,7-diazaspiro[2.5]octane;ethane?
The IUPAC name of 7-benzyl-4,7-diazaspiro[2.5]octane;7-benzyl-6-ethyl-4,7-diazaspiro[2.5]octane;ethane (CID 142410738) is 7-benzyl-4,7-diazaspiro[2.5]octane;7-benzyl-6-ethyl-4,7-diazaspiro[2.5]octane;ethane.
What is the SMILES notation for 7-benzyl-4,7-diazaspiro[2.5]octane;7-benzyl-6-ethyl-4,7-diazaspiro[2.5]octane;ethane?
The canonical SMILES for 7-benzyl-4,7-diazaspiro[2.5]octane;7-benzyl-6-ethyl-4,7-diazaspiro[2.5]octane;ethane is CC.CCC1CNC2(CC2)CN1Cc1ccccc1.c1ccc(CN2CCNC3(CC3)C2)cc1.
What is the InChIKey of 7-benzyl-4,7-diazaspiro[2.5]octane;7-benzyl-6-ethyl-4,7-diazaspiro[2.5]octane;ethane?
The InChIKey is CGVUOILHSQEJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2.C13H18N2.C2H6/c1-2-14-10-16-15(8-9-15)12-17(14)11-13-6-4-3-5-7-13;1-2-4-12(5-3-1)10-15-9-8-14-13(11-15)6-7-13;1-2/h3-7,14,16H,2,8-12H2,1H3;1-5,14H,6-11H2;1-2H3.
What are the key properties of 7-benzyl-4,7-diazaspiro[2.5]octane;7-benzyl-6-ethyl-4,7-diazaspiro[2.5]octane;ethane?
7-benzyl-4,7-diazaspiro[2.5]octane;7-benzyl-6-ethyl-4,7-diazaspiro[2.5]octane;ethane has a molecular weight of 462.73 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-4,7-diazaspiro[2.5]octane;7-benzyl-6-ethyl-4,7-diazaspiro[2.5]octane;ethane is sourced from PubChem (CID 142410738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).