1-methyl-2-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine

C22H44N4O — CID 165102198

IUPAC1-methyl-2-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine
SMILESCC(C)N1CCOCC1.CC(C)N1CC[C@H](C)C1.CC(C)c1nccn1C
InChIInChI=1S/C8H17N.C7H12N2.C7H15NO/c1-7(2)9-5-4-8(3)6-9;1-6(2)7-8-4-5-9(7)3;1-7(2)8-3-5-9-6-4-8/h7-8H,4-6H2,1-3H3;4-6H,1-3H3;7H,3-6H2,1-2H3/t8-;;/m0../s1
InChIKeyYNDVQZVDTLLCCJ-JZGIKJSDSA-N
MW380.62 g/mol
LogP4.01
Rot. Bonds3

About 1-methyl-2-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine

1-methyl-2-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine (PubChem CID 165102198) has the molecular formula C22H44N4O and a molecular weight of 380.62 g/mol. Its IUPAC name is 1-methyl-2-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine.

Molecular Properties

Compound Name1-methyl-2-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine
PubChem CID165102198
Molecular FormulaC22H44N4O
Molecular Weight380.62 g/mol
Exact Mass380.35
IUPAC Name1-methyl-2-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine
SMILESCC(C)N1CCOCC1.CC(C)N1CC[C@H](C)C1.CC(C)c1nccn1C
InChIInChI=1S/C8H17N.C7H12N2.C7H15NO/c1-7(2)9-5-4-8(3)6-9;1-6(2)7-8-4-5-9(7)3;1-7(2)8-3-5-9-6-4-8/h7-8H,4-6H2,1-3H3;4-6H,1-3H3;7H,3-6H2,1-2H3/t8-;;/m0../s1
InChIKeyYNDVQZVDTLLCCJ-JZGIKJSDSA-N
XLogP4.01
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.62
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-[(1-ethyl-1H-imidazol-2-yl)methyl]-1-(3-methylbutyl)-2-piperazinyl]ethanol
CID 16189123
4-{2-[4-(1-methyl-1H-imidazol-2-yl)-1-piperidinyl]ethyl}morpholine
CID 70756829
N-[[1-(2-methylpropyl)imidazol-2-yl]methyl]-2-(morpholin-4-ylmethyl)pyrrolidine-1-carboxamide
CID 71868060
4-(1-isopropyl-1H-imidazol-2-yl)-1-(1-pyrrolidinylcarbonyl)piperidine
CID 72889477
(3aR,7aS)-5-(2-methoxyethyl)-2-[(1-methylimidazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-pyrrolo[3,4-c]pyridine
CID 97508589
4-[2-(2-Methylimidazol-1-yl)ethyl]morpholine
CID 56798444
(2R,4S)-4-Isopropyl-2-methoxy-3-((R)-2-methyl-1-(1-methyl-1H-imidazol-2-yl)propyl)oxazolidine
CID 71607139
(2S,4R)-3-[(S)-(iso-Propyl)(1-methyl-1H-imidazol-2-yl)methyl]-4-(iso-propyl)-2-methoxyoxazolidine
CID 71607151
N-[(1-methyl-1H-imidazol-2-yl)methyl]-N-(tetrahydrofuran-3-ylmethyl)cyclopropanamine
CID 50963983
1-(2-methoxyethyl)-3-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine
CID 70726324
4-({1-[(1-methyl-1H-imidazol-2-yl)methyl]-2-piperidinyl}methyl)morpholine
CID 70760971
1-{[1-(2-methoxyethyl)-1H-imidazol-2-yl]methyl}piperidine-4-carbonitrile
CID 77088258

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine?
The IUPAC name of 1-methyl-2-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine (CID 165102198) is 1-methyl-2-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine.
What is the SMILES notation for 1-methyl-2-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine?
The canonical SMILES for 1-methyl-2-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine is CC(C)N1CCOCC1.CC(C)N1CC[C@H](C)C1.CC(C)c1nccn1C.
What is the InChIKey of 1-methyl-2-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine?
The InChIKey is YNDVQZVDTLLCCJ-JZGIKJSDSA-N. The full InChI is InChI=1S/C8H17N.C7H12N2.C7H15NO/c1-7(2)9-5-4-8(3)6-9;1-6(2)7-8-4-5-9(7)3;1-7(2)8-3-5-9-6-4-8/h7-8H,4-6H2,1-3H3;4-6H,1-3H3;7H,3-6H2,1-2H3/t8-;;/m0../s1.
What are the key properties of 1-methyl-2-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine?
1-methyl-2-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine has a molecular weight of 380.62 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-propan-2-ylimidazole;(3S)-3-methyl-1-propan-2-ylpyrrolidine;4-propan-2-ylmorpholine is sourced from PubChem (CID 165102198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).