2-methylpropane;(2R)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(2S)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3S)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3R)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;3-methyl-4-(3-propan-2-yloxypropyl)morpholine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-propan-2-yloxybutane;1-propan-2-yloxypropane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine

C117H251N11O17 — CID 167630181

IUPAC2-methylpropane;(2R)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(2S)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3S)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3R)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;3-methyl-4-(3-propan-2-yloxypropyl)morpholine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-propan-2-yloxybutane;1-propan-2-yloxypropane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine
SMILESCC(C)C.CC(C)OCCCN1CCCCC1.CC(C)OCCCN1CCN(C(C)C)CC1.CC(C)OCCCN1CCN(C)CC1.CC(C)OCCCN1CCOCC1.CC(C)OCCCN1CCOCC1C.CC(C)OCCCN1CCOC[C@@H]1C.CC(C)OCCCN1CCOC[C@H]1C.CC(C)OCCCN1CCO[C@@H](C)C1.CC(C)OCCCN1CCO[C@H](C)C1.CCCCOC(C)C.CCCOC(C)C
InChIInChI=1S/C13H28N2O.C11H24N2O.5C11H23NO2.C11H23NO.C10H21NO2.C7H16O.C6H14O.C4H10/c1-12(2)15-9-7-14(8-10-15)6-5-11-16-13(3)4;1-11(2)14-10-4-5-13-8-6-12(3)7-9-13;3*1-10(2)14-7-4-5-12-6-8-13-9-11(12)3;2*1-10(2)13-7-4-5-12-6-8-14-11(3)9-12;1-11(2)13-10-6-9-12-7-4-3-5-8-12;1-10(2)13-7-3-4-11-5-8-12-9-6-11;1-4-5-6-8-7(2)3;1-4-5-7-6(2)3;1-4(2)3/h12-13H,5-11H2,1-4H3;11H,4-10H2,1-3H3;5*10-11H,4-9H2,1-3H3;11H,3-10H2,1-2H3;10H,3-9H2,1-2H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;4H,1-3H3/t;;2*11-;;2*11-;;;;;/m..10.10...../s1
InChIKeyNRFVKEIYWRLZIM-JOXPDXSDSA-N
MW2084.35 g/mol
LogP19.60
Rot. Bonds53

About 2-methylpropane;(2R)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(2S)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3S)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3R)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;3-methyl-4-(3-propan-2-yloxypropyl)morpholine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-propan-2-yloxybutane;1-propan-2-yloxypropane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine

2-methylpropane;(2R)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(2S)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3S)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3R)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;3-methyl-4-(3-propan-2-yloxypropyl)morpholine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-propan-2-yloxybutane;1-propan-2-yloxypropane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine (PubChem CID 167630181) has the molecular formula C117H251N11O17 and a molecular weight of 2084.35 g/mol. Its IUPAC name is 2-methylpropane;(2R)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(2S)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3S)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3R)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;3-methyl-4-(3-propan-2-yloxypropyl)morpholine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-propan-2-yloxybutane;1-propan-2-yloxypropane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine.

Molecular Properties

Compound Name2-methylpropane;(2R)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(2S)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3S)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3R)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;3-methyl-4-(3-propan-2-yloxypropyl)morpholine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-propan-2-yloxybutane;1-propan-2-yloxypropane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine
PubChem CID167630181
Molecular FormulaC117H251N11O17
Molecular Weight2084.35 g/mol
Exact Mass2082.91
IUPAC Name2-methylpropane;(2R)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(2S)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3S)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3R)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;3-methyl-4-(3-propan-2-yloxypropyl)morpholine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-propan-2-yloxybutane;1-propan-2-yloxypropane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine
SMILESCC(C)C.CC(C)OCCCN1CCCCC1.CC(C)OCCCN1CCN(C(C)C)CC1.CC(C)OCCCN1CCN(C)CC1.CC(C)OCCCN1CCOCC1.CC(C)OCCCN1CCOCC1C.CC(C)OCCCN1CCOC[C@@H]1C.CC(C)OCCCN1CCOC[C@H]1C.CC(C)OCCCN1CCO[C@@H](C)C1.CC(C)OCCCN1CCO[C@H](C)C1.CCCCOC(C)C.CCCOC(C)C
InChIInChI=1S/C13H28N2O.C11H24N2O.5C11H23NO2.C11H23NO.C10H21NO2.C7H16O.C6H14O.C4H10/c1-12(2)15-9-7-14(8-10-15)6-5-11-16-13(3)4;1-11(2)14-10-4-5-13-8-6-12(3)7-9-13;3*1-10(2)14-7-4-5-12-6-8-13-9-11(12)3;2*1-10(2)13-7-4-5-12-6-8-14-11(3)9-12;1-11(2)13-10-6-9-12-7-4-3-5-8-12;1-10(2)13-7-3-4-11-5-8-12-9-6-11;1-4-5-6-8-7(2)3;1-4-5-7-6(2)3;1-4(2)3/h12-13H,5-11H2,1-4H3;11H,4-10H2,1-3H3;5*10-11H,4-9H2,1-3H3;11H,3-10H2,1-2H3;10H,3-9H2,1-2H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;4H,1-3H3/t;;2*11-;;2*11-;;;;;/m..10.10...../s1
InChIKeyNRFVKEIYWRLZIM-JOXPDXSDSA-N
XLogP19.60
TPSA192.55 Ų
H-Bond Donors
H-Bond Acceptors28
Rotatable Bonds53
Heavy Atoms145
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002084.35
LogP ≤ 519.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-methylpropane;(2R)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(2S)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3S)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3R)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;3-methyl-4-(3-propan-2-yloxypropyl)morpholine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-propan-2-yloxybutane;1-propan-2-yloxypropane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine with MolForge

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Related Compounds

2-methyl-4-[2-[1-(3-methylmorpholin-4-yl)propan-2-yloxy]ethyl]morpholine
CID 57083781
2-[2-(3-piperidin-1-ylpropoxy)propyl]-4-(3-propan-2-yloxypropyl)morpholine
CID 156869090
(2R,6S)-2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;(2R,6S)-2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine;2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine;2,2-dimethyl-1-(3-propan-2-yloxypropyl)piperidine;3,3-dimethyl-1-(3-propan-2-yloxypropyl)piperidine;1-methyl-4-(2-propan-2-yloxyethyl)piperazine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine
CID 159323633
(2S)-4-[3-(1-iodoethoxy)propyl]-2-methylmorpholine
CID 155023154
4-(2-propan-2-yloxyethyl)morpholine;1-(2-propan-2-yloxyethyl)piperidine
CID 158440529
3-[(3R)-3-methylmorpholin-4-yl]propyl hypoiodite
CID 170083602
1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158438628
4-tert-butyl-1-(3-propan-2-yloxypropyl)piperidine;(2R,6S)-2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;2,6-dimethyl-4-(2-propan-2-yloxyethyl)morpholine;4-methyl-1-(2-propan-2-yloxyethyl)piperidine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;2-(2-propan-2-yloxyethyl)-2-azaspiro[3.3]heptane;1-(2-propan-2-yloxyethyl)piperidine;2-[1-(2-propan-2-yloxyethyl)piperidin-4-yl]propan-2-ol;2-(3-propan-2-yloxypropyl)-2-azaspiro[3.3]heptane;1-propan-2-yl-4-(2-propan-2-yloxyethyl)piperazine
CID 158451516
azane;4-dodecyl-2-methylmorpholine;hydrobromide
CID 174921468
1-methyl-4-[3-(3-propan-2-yloxypropoxy)propyl]piperazine
CID 135178116
2,6-dimethyl-4-(3-propan-2-yloxypropyl)morpholine
CID 154661277
1-(4-propan-2-yloxybutyl)pyrrolidine
CID 20742855

Frequently Asked Questions

What is the IUPAC name of 2-methylpropane;(2R)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(2S)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3S)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3R)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;3-methyl-4-(3-propan-2-yloxypropyl)morpholine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-propan-2-yloxybutane;1-propan-2-yloxypropane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine?
The IUPAC name of 2-methylpropane;(2R)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(2S)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3S)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3R)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;3-methyl-4-(3-propan-2-yloxypropyl)morpholine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-propan-2-yloxybutane;1-propan-2-yloxypropane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine (CID 167630181) is 2-methylpropane;(2R)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(2S)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3S)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3R)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;3-methyl-4-(3-propan-2-yloxypropyl)morpholine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-propan-2-yloxybutane;1-propan-2-yloxypropane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine.
What is the SMILES notation for 2-methylpropane;(2R)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(2S)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3S)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3R)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;3-methyl-4-(3-propan-2-yloxypropyl)morpholine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-propan-2-yloxybutane;1-propan-2-yloxypropane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine?
The canonical SMILES for 2-methylpropane;(2R)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(2S)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3S)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3R)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;3-methyl-4-(3-propan-2-yloxypropyl)morpholine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-propan-2-yloxybutane;1-propan-2-yloxypropane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine is CC(C)C.CC(C)OCCCN1CCCCC1.CC(C)OCCCN1CCN(C(C)C)CC1.CC(C)OCCCN1CCN(C)CC1.CC(C)OCCCN1CCOCC1.CC(C)OCCCN1CCOCC1C.CC(C)OCCCN1CCOC[C@@H]1C.CC(C)OCCCN1CCOC[C@H]1C.CC(C)OCCCN1CCO[C@@H](C)C1.CC(C)OCCCN1CCO[C@H](C)C1.CCCCOC(C)C.CCCOC(C)C.
What is the InChIKey of 2-methylpropane;(2R)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(2S)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3S)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3R)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;3-methyl-4-(3-propan-2-yloxypropyl)morpholine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-propan-2-yloxybutane;1-propan-2-yloxypropane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine?
The InChIKey is NRFVKEIYWRLZIM-JOXPDXSDSA-N. The full InChI is InChI=1S/C13H28N2O.C11H24N2O.5C11H23NO2.C11H23NO.C10H21NO2.C7H16O.C6H14O.C4H10/c1-12(2)15-9-7-14(8-10-15)6-5-11-16-13(3)4;1-11(2)14-10-4-5-13-8-6-12(3)7-9-13;3*1-10(2)14-7-4-5-12-6-8-13-9-11(12)3;2*1-10(2)13-7-4-5-12-6-8-14-11(3)9-12;1-11(2)13-10-6-9-12-7-4-3-5-8-12;1-10(2)13-7-3-4-11-5-8-12-9-6-11;1-4-5-6-8-7(2)3;1-4-5-7-6(2)3;1-4(2)3/h12-13H,5-11H2,1-4H3;11H,4-10H2,1-3H3;5*10-11H,4-9H2,1-3H3;11H,3-10H2,1-2H3;10H,3-9H2,1-2H3;7H,4-6H2,1-3H3;6H,4-5H2,1-3H3;4H,1-3H3/t;;2*11-;;2*11-;;;;;/m..10.10...../s1.
What are the key properties of 2-methylpropane;(2R)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(2S)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3S)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3R)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;3-methyl-4-(3-propan-2-yloxypropyl)morpholine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-propan-2-yloxybutane;1-propan-2-yloxypropane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine?
2-methylpropane;(2R)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(2S)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3S)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3R)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;3-methyl-4-(3-propan-2-yloxypropyl)morpholine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-propan-2-yloxybutane;1-propan-2-yloxypropane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine has a molecular weight of 2084.35 g/mol, XLogP of 19.60, 53 rotatable bonds, 0 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylpropane;(2R)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(2S)-2-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3S)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;(3R)-3-methyl-4-(3-propan-2-yloxypropyl)morpholine;3-methyl-4-(3-propan-2-yloxypropyl)morpholine;1-methyl-4-(3-propan-2-yloxypropyl)piperazine;1-propan-2-yloxybutane;1-propan-2-yloxypropane;4-(3-propan-2-yloxypropyl)morpholine;1-(3-propan-2-yloxypropyl)piperidine;1-propan-2-yl-4-(3-propan-2-yloxypropyl)piperazine is sourced from PubChem (CID 167630181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).