1-tert-butyl-2-methylimidazole;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;methane

C40H86N6O4 — CID 158519525

IUPAC1-tert-butyl-2-methylimidazole;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;methane
SMILESC.C.C.C.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)CN1CCOCC1.CN1CCN(C(=O)C(C)(C)C)CC1.Cc1nccn1C(C)(C)C
InChIInChI=1S/C10H20N2O.C9H17NO2.C9H19NO.C8H14N2.4CH4/c1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8-10-4-6-11-7-5-10;1-7-9-5-6-10(7)8(2,3)4;;;;/h5-8H2,1-4H3;4-7H2,1-3H3;4-8H2,1-3H3;5-6H,1-4H3;4*1H4
InChIKeyHMAVRFULOCLKAA-UHFFFAOYSA-N
MW715.17 g/mol
LogP7.55
Rot. Bonds1

About 1-tert-butyl-2-methylimidazole;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;methane

1-tert-butyl-2-methylimidazole;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;methane (PubChem CID 158519525) has the molecular formula C40H86N6O4 and a molecular weight of 715.17 g/mol. Its IUPAC name is 1-tert-butyl-2-methylimidazole;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;methane.

Molecular Properties

Compound Name1-tert-butyl-2-methylimidazole;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;methane
PubChem CID158519525
Molecular FormulaC40H86N6O4
Molecular Weight715.17 g/mol
Exact Mass714.67
IUPAC Name1-tert-butyl-2-methylimidazole;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;methane
SMILESC.C.C.C.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)CN1CCOCC1.CN1CCN(C(=O)C(C)(C)C)CC1.Cc1nccn1C(C)(C)C
InChIInChI=1S/C10H20N2O.C9H17NO2.C9H19NO.C8H14N2.4CH4/c1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8-10-4-6-11-7-5-10;1-7-9-5-6-10(7)8(2,3)4;;;;/h5-8H2,1-4H3;4-7H2,1-3H3;4-8H2,1-3H3;5-6H,1-4H3;4*1H4
InChIKeyHMAVRFULOCLKAA-UHFFFAOYSA-N
XLogP7.55
TPSA83.38 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500715.17
LogP ≤ 57.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-tert-butyl-2-methylimidazole;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;methane with MolForge

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Related Compounds

1-(2,2-dimethylpropyl)-4-methylpiperazine;4-(2,2-dimethylpropyl)morpholine;methane
CID 162058346
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 3360236
2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 158455362
2-(2-methylimidazol-1-yl)-1-morpholin-4-ylpropan-1-one
CID 63811149
(4-methylpiperazin-1-yl)-[2-(2-morpholin-4-ylethylamino)pyrimidin-5-yl]methanone
CID 109253173
1-(2,2-dimethylpropyl)-4-methylpiperazine
CID 12566800
2-hydroxysulfanyl-4-(2-methylimidazol-1-yl)-1-morpholin-4-ylbutan-1-one
CID 91508131
3-[4-(2,2-dimethylpropanoyl)morpholin-2-yl]-2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one
CID 166881497
2-hydroxysulfanyl-2-(2-methylimidazol-1-yl)-1-morpholin-4-ylethanone
CID 57211832
1-(2-methylimidazol-1-yl)-3-morpholin-4-ylpropan-2-ol
CID 109411165
(2S)-1-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-2-(2-propan-2-ylimidazol-1-yl)propan-1-one
CID 97277363
2,2-dimethyl-1-[3-[(4-methylpiperazin-1-yl)methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]propan-1-one
CID 155875986

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2-methylimidazole;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;methane?
The IUPAC name of 1-tert-butyl-2-methylimidazole;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;methane (CID 158519525) is 1-tert-butyl-2-methylimidazole;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;methane.
What is the SMILES notation for 1-tert-butyl-2-methylimidazole;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;methane?
The canonical SMILES for 1-tert-butyl-2-methylimidazole;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;methane is C.C.C.C.CC(C)(C)C(=O)N1CCOCC1.CC(C)(C)CN1CCOCC1.CN1CCN(C(=O)C(C)(C)C)CC1.Cc1nccn1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-2-methylimidazole;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;methane?
The InChIKey is HMAVRFULOCLKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.C9H17NO2.C9H19NO.C8H14N2.4CH4/c1-10(2,3)9(13)12-7-5-11(4)6-8-12;1-9(2,3)8(11)10-4-6-12-7-5-10;1-9(2,3)8-10-4-6-11-7-5-10;1-7-9-5-6-10(7)8(2,3)4;;;;/h5-8H2,1-4H3;4-7H2,1-3H3;4-8H2,1-3H3;5-6H,1-4H3;4*1H4.
What are the key properties of 1-tert-butyl-2-methylimidazole;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;methane?
1-tert-butyl-2-methylimidazole;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;methane has a molecular weight of 715.17 g/mol, XLogP of 7.55, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2-methylimidazole;2,2-dimethyl-1-(4-methylpiperazin-1-yl)propan-1-one;2,2-dimethyl-1-morpholin-4-ylpropan-1-one;4-(2,2-dimethylpropyl)morpholine;methane is sourced from PubChem (CID 158519525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).