ethane;9-(4-ethylpiperazin-1-yl)-9-methyl-3-[(1-propylcyclopropyl)methyl]-3-azaspiro[5.5]undecane

C26H51N3 — CID 171658027

IUPACethane;9-(4-ethylpiperazin-1-yl)-9-methyl-3-[(1-propylcyclopropyl)methyl]-3-azaspiro[5.5]undecane
SMILESCC.CCCC1(CN2CCC3(CC2)CCC(C)(N2CCN(CC)CC2)CC3)CC1
InChIInChI=1S/C24H45N3.C2H6/c1-4-6-24(11-12-24)21-26-15-13-23(14-16-26)9-7-22(3,8-10-23)27-19-17-25(5-2)18-20-27;1-2/h4-21H2,1-3H3;1-2H3
InChIKeyHRYAPFBIPGSTPK-UHFFFAOYSA-N
MW405.72 g/mol
LogP5.65
Rot. Bonds6

About ethane;9-(4-ethylpiperazin-1-yl)-9-methyl-3-[(1-propylcyclopropyl)methyl]-3-azaspiro[5.5]undecane

ethane;9-(4-ethylpiperazin-1-yl)-9-methyl-3-[(1-propylcyclopropyl)methyl]-3-azaspiro[5.5]undecane (PubChem CID 171658027) has the molecular formula C26H51N3 and a molecular weight of 405.72 g/mol. Its IUPAC name is ethane;9-(4-ethylpiperazin-1-yl)-9-methyl-3-[(1-propylcyclopropyl)methyl]-3-azaspiro[5.5]undecane.

Molecular Properties

Compound Nameethane;9-(4-ethylpiperazin-1-yl)-9-methyl-3-[(1-propylcyclopropyl)methyl]-3-azaspiro[5.5]undecane
PubChem CID171658027
Molecular FormulaC26H51N3
Molecular Weight405.72 g/mol
Exact Mass405.41
IUPAC Nameethane;9-(4-ethylpiperazin-1-yl)-9-methyl-3-[(1-propylcyclopropyl)methyl]-3-azaspiro[5.5]undecane
SMILESCC.CCCC1(CN2CCC3(CC2)CCC(C)(N2CCN(CC)CC2)CC3)CC1
InChIInChI=1S/C24H45N3.C2H6/c1-4-6-24(11-12-24)21-26-15-13-23(14-16-26)9-7-22(3,8-10-23)27-19-17-25(5-2)18-20-27;1-2/h4-21H2,1-3H3;1-2H3
InChIKeyHRYAPFBIPGSTPK-UHFFFAOYSA-N
XLogP5.65
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.72
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;9-(4-ethylpiperazin-1-yl)-9-methyl-3-[(1-propylcyclopropyl)methyl]-3-azaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,9-diethyl-3,9-diazaspiro[5.5]undecane
CID 20622591
2-methyl-2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 174275793
2-[(4-propan-2-ylpiperazin-1-yl)methyl]-7-[(1-propylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 174274213
7-[(1-ethylcyclopropyl)methyl]-7-azaspiro[3.5]nonane
CID 171656732
1-ethyl-4-[(1-fluorocyclopropyl)methyl]piperazine
CID 130668663
potassium;ethane;3-ethyl-3-aza-9-azanidaspiro[5.5]undecane
CID 154678990
4-[4-[4-propyl-1-[(1-propylcyclopropyl)methyl]piperidin-4-yl]butyl]-1,4-diazepan-1-amine
CID 171656903
4-ethyl-4-methyl-1-[(3-propylpiperidin-3-yl)methyl]piperidine
CID 63161703
ethane;7-ethyl-2-methyl-7-aza-2-azoniaspiro[3.5]nonane
CID 156749858
9-(azetidin-1-yl)-9-methyl-3-methylsulfanyl-3-azaspiro[5.5]undecane
CID 91192321
9-fluoro-9-[(4-methylpiperazin-1-yl)methyl]-3-[[1-(2-methylpropyl)cyclopropyl]methyl]-3-azaspiro[5.5]undecane
CID 174276695
1,4,7,10,13,16-hexaethyl-1,4,7,10,13,16-hexazacyclooctadecane
CID 66730221

Frequently Asked Questions

What is the IUPAC name of ethane;9-(4-ethylpiperazin-1-yl)-9-methyl-3-[(1-propylcyclopropyl)methyl]-3-azaspiro[5.5]undecane?
The IUPAC name of ethane;9-(4-ethylpiperazin-1-yl)-9-methyl-3-[(1-propylcyclopropyl)methyl]-3-azaspiro[5.5]undecane (CID 171658027) is ethane;9-(4-ethylpiperazin-1-yl)-9-methyl-3-[(1-propylcyclopropyl)methyl]-3-azaspiro[5.5]undecane.
What is the SMILES notation for ethane;9-(4-ethylpiperazin-1-yl)-9-methyl-3-[(1-propylcyclopropyl)methyl]-3-azaspiro[5.5]undecane?
The canonical SMILES for ethane;9-(4-ethylpiperazin-1-yl)-9-methyl-3-[(1-propylcyclopropyl)methyl]-3-azaspiro[5.5]undecane is CC.CCCC1(CN2CCC3(CC2)CCC(C)(N2CCN(CC)CC2)CC3)CC1.
What is the InChIKey of ethane;9-(4-ethylpiperazin-1-yl)-9-methyl-3-[(1-propylcyclopropyl)methyl]-3-azaspiro[5.5]undecane?
The InChIKey is HRYAPFBIPGSTPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N3.C2H6/c1-4-6-24(11-12-24)21-26-15-13-23(14-16-26)9-7-22(3,8-10-23)27-19-17-25(5-2)18-20-27;1-2/h4-21H2,1-3H3;1-2H3.
What are the key properties of ethane;9-(4-ethylpiperazin-1-yl)-9-methyl-3-[(1-propylcyclopropyl)methyl]-3-azaspiro[5.5]undecane?
ethane;9-(4-ethylpiperazin-1-yl)-9-methyl-3-[(1-propylcyclopropyl)methyl]-3-azaspiro[5.5]undecane has a molecular weight of 405.72 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;9-(4-ethylpiperazin-1-yl)-9-methyl-3-[(1-propylcyclopropyl)methyl]-3-azaspiro[5.5]undecane is sourced from PubChem (CID 171658027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).