ethane;5-[(4-ethylcyclohexyl)methyl]-8-methyl-2-oxa-5,8-diazaspiro[3.5]nonane

C18H36N2O — CID 170953727

IUPACethane;5-[(4-ethylcyclohexyl)methyl]-8-methyl-2-oxa-5,8-diazaspiro[3.5]nonane
SMILESCC.CCC1CCC(CN2CCN(C)CC23COC3)CC1
InChIInChI=1S/C16H30N2O.C2H6/c1-3-14-4-6-15(7-5-14)10-18-9-8-17(2)11-16(18)12-19-13-16;1-2/h14-15H,3-13H2,1-2H3;1-2H3
InChIKeyJVNMXUXEPQQBQX-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.25
Rot. Bonds3

About ethane;5-[(4-ethylcyclohexyl)methyl]-8-methyl-2-oxa-5,8-diazaspiro[3.5]nonane

ethane;5-[(4-ethylcyclohexyl)methyl]-8-methyl-2-oxa-5,8-diazaspiro[3.5]nonane (PubChem CID 170953727) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is ethane;5-[(4-ethylcyclohexyl)methyl]-8-methyl-2-oxa-5,8-diazaspiro[3.5]nonane.

Molecular Properties

Compound Nameethane;5-[(4-ethylcyclohexyl)methyl]-8-methyl-2-oxa-5,8-diazaspiro[3.5]nonane
PubChem CID170953727
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Nameethane;5-[(4-ethylcyclohexyl)methyl]-8-methyl-2-oxa-5,8-diazaspiro[3.5]nonane
SMILESCC.CCC1CCC(CN2CCN(C)CC23COC3)CC1
InChIInChI=1S/C16H30N2O.C2H6/c1-3-14-4-6-15(7-5-14)10-18-9-8-17(2)11-16(18)12-19-13-16;1-2/h14-15H,3-13H2,1-2H3;1-2H3
InChIKeyJVNMXUXEPQQBQX-UHFFFAOYSA-N
XLogP3.25
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethane;5-[(4-ethylcyclohexyl)methyl]-8-methyl-2-oxa-5,8-diazaspiro[3.5]nonane with MolForge

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Related Compounds

1-(3-Fluoro-4-propan-2-ylcyclohexyl)-4-(oxetan-3-yl)piperazine
CID 140709103
(2R)-2-(difluoromethoxymethyl)-4-propan-2-yl-1-[(4-propan-2-ylcyclohexyl)methyl]piperazine
CID 171598564
2-(Methoxymethyl)-1-methyl-4-(3-methylnonan-3-yl)piperazine
CID 139319931
(2R)-2-methyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709121
1-(3-Methyloxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709124
1-(Oxetan-3-ylmethyl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709133
(2S)-2-methyl-4-(oxetan-3-yl)-1-(4-propan-2-ylcyclohexyl)piperazine
CID 140709140
(2R,5S)-2,5-dimethyl-1-(oxetan-3-yl)-4-(4-propan-2-ylcyclohexyl)piperazine
CID 140709152
(2R)-2-methyl-4-(oxetan-3-yl)-1-(4-propan-2-ylcyclohexyl)piperazine
CID 140709158
1,2-Dimethyl-2-[[1-[2-(2-methylpropoxy)ethyl]piperidin-3-yl]methyl]-4-(2-methylpropyl)piperazine
CID 146229412
1-[2-Methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]hexan-2-yl]-4-propan-2-ylpiperidine
CID 146558709
1-(Oxetan-3-yl)-4-[1-(1-propan-2-ylpiperidin-3-yl)propan-2-yl]piperazine
CID 146595799

Frequently Asked Questions

What is the IUPAC name of ethane;5-[(4-ethylcyclohexyl)methyl]-8-methyl-2-oxa-5,8-diazaspiro[3.5]nonane?
The IUPAC name of ethane;5-[(4-ethylcyclohexyl)methyl]-8-methyl-2-oxa-5,8-diazaspiro[3.5]nonane (CID 170953727) is ethane;5-[(4-ethylcyclohexyl)methyl]-8-methyl-2-oxa-5,8-diazaspiro[3.5]nonane.
What is the SMILES notation for ethane;5-[(4-ethylcyclohexyl)methyl]-8-methyl-2-oxa-5,8-diazaspiro[3.5]nonane?
The canonical SMILES for ethane;5-[(4-ethylcyclohexyl)methyl]-8-methyl-2-oxa-5,8-diazaspiro[3.5]nonane is CC.CCC1CCC(CN2CCN(C)CC23COC3)CC1.
What is the InChIKey of ethane;5-[(4-ethylcyclohexyl)methyl]-8-methyl-2-oxa-5,8-diazaspiro[3.5]nonane?
The InChIKey is JVNMXUXEPQQBQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2O.C2H6/c1-3-14-4-6-15(7-5-14)10-18-9-8-17(2)11-16(18)12-19-13-16;1-2/h14-15H,3-13H2,1-2H3;1-2H3.
What are the key properties of ethane;5-[(4-ethylcyclohexyl)methyl]-8-methyl-2-oxa-5,8-diazaspiro[3.5]nonane?
ethane;5-[(4-ethylcyclohexyl)methyl]-8-methyl-2-oxa-5,8-diazaspiro[3.5]nonane has a molecular weight of 296.50 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;5-[(4-ethylcyclohexyl)methyl]-8-methyl-2-oxa-5,8-diazaspiro[3.5]nonane is sourced from PubChem (CID 170953727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).