ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine)

C39H89N3O2 — CID 161339699

IUPACethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine)
SMILESCC.CC.CC.CC.CC(C)C1CCOCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCOCC1
InChIInChI=1S/2C8H17N.C8H16O.C7H15NO.4C2H6/c2*1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;4*1-2/h2*8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4*1-2H3
InChIKeyVMMSUVVMSGIFKG-UHFFFAOYSA-N
MW632.16 g/mol
LogP10.66
Rot. Bonds4

About ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine)

ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine) (PubChem CID 161339699) has the molecular formula C39H89N3O2 and a molecular weight of 632.16 g/mol. Its IUPAC name is ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine).

Molecular Properties

Compound Nameethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine)
PubChem CID161339699
Molecular FormulaC39H89N3O2
Molecular Weight632.16 g/mol
Exact Mass631.70
IUPAC Nameethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine)
SMILESCC.CC.CC.CC.CC(C)C1CCOCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCOCC1
InChIInChI=1S/2C8H17N.C8H16O.C7H15NO.4C2H6/c2*1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;4*1-2/h2*8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4*1-2H3
InChIKeyVMMSUVVMSGIFKG-UHFFFAOYSA-N
XLogP10.66
TPSA28.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.16
LogP ≤ 510.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine) with MolForge

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Launch Full Analysis

Related Compounds

4-Methyl-4-[4-methyl-1,6-bis(4-methylmorpholin-4-ium-4-yl)hexan-3-yl]morpholin-4-ium
CID 126599149
4-[2-[2-Methyl-1-[2-(1-propan-2-ylpiperidin-4-yl)propan-2-yl]piperidin-4-yl]propan-2-yl]morpholine
CID 134600355
Ethane;4-ethylmorpholine;4-(3-methyl-6-morpholin-4-ylhexyl)morpholine
CID 143130099
2,4-Di(propan-2-yl)morpholine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;methane;2-methyl-1,4-di(propan-2-yl)piperidine
CID 157239857
1-Cyclobutyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperidine;1-(oxan-4-yl)-4-propan-2-ylpiperidine
CID 157549794
4-Tert-butyl-1-cyclobutylpiperidine;4-tert-butyl-1-methylpiperidine;4-tert-butyl-1-(oxan-4-yl)piperidine
CID 157565169
1-(2-Methoxyethyl)-4-propan-2-ylpiperidine;1-methyl-4-(2-methylpropyl)piperazine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-(2-methylpropyl)morpholine
CID 157596719
2-Methyl-4-propan-2-ylmorpholine;4-methyl-1-propan-2-ylpiperidine;4-(2-methylpropyl)morpholine;4-propan-2-ylmorpholine
CID 157684624
1,4-di(propan-2-yl)piperazine;1-(oxetan-3-yl)-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;4-propan-2-yloxane;(2S,6R)-1,2,6-trimethyl-4-propan-2-ylpiperazine
CID 158040179
1,4-Dimethylpiperazine;1,4-dimethylpiperidine;ethane;4-methylmorpholine;4-methyloxane
CID 158070688
2,4-Di(propan-2-yl)morpholine;1,4-di(propan-2-yl)piperazine;1,4-di(propan-2-yl)piperidine;2-methyl-1,4-di(propan-2-yl)piperidine
CID 158115647
2,3-Dimethylbutane;1,4-di(propan-2-yl)piperidine;1-methyl-4-propan-2-ylpiperidine;propan-2-ylcyclopropane;4-propan-2-yloxane
CID 158874565

Frequently Asked Questions

What is the IUPAC name of ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine)?
The IUPAC name of ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine) (CID 161339699) is ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine).
What is the SMILES notation for ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine)?
The canonical SMILES for ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine) is CC.CC.CC.CC.CC(C)C1CCOCC1.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCOCC1.
What is the InChIKey of ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine)?
The InChIKey is VMMSUVVMSGIFKG-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H17N.C8H16O.C7H15NO.4C2H6/c2*1-8(2)9-6-4-3-5-7-9;2*1-7(2)8-3-5-9-6-4-8;4*1-2/h2*8H,3-7H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3;4*1-2H3.
What are the key properties of ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine)?
ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine) has a molecular weight of 632.16 g/mol, XLogP of 10.66, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-propan-2-ylmorpholine;4-propan-2-yloxane;bis(1-propan-2-ylpiperidine) is sourced from PubChem (CID 161339699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).