cumene;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine

C89H151N15O — CID 160690406

IUPACcumene;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cncnc1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1
InChIInChI=1S/C9H12.C8H18N2.2C8H11N.C8H17N.C8H11N.C7H10N2.C7H15NO.C7H15N.C7H11N.2C6H10N2/c1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8/h3-8H,1-2H3;8H,4-7H2,1-3H3;2*3-7H,1-2H3;8H,3-7H2,1-2H3;3-7H,1-2H3;3-6H,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyRPIGFAKLOJNHSQ-UHFFFAOYSA-N
MW1447.29 g/mol
LogP20.76
Rot. Bonds12

About cumene;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine

cumene;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine (PubChem CID 160690406) has the molecular formula C89H151N15O and a molecular weight of 1447.29 g/mol. Its IUPAC name is cumene;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine.

Molecular Properties

Compound Namecumene;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine
PubChem CID160690406
Molecular FormulaC89H151N15O
Molecular Weight1447.29 g/mol
Exact Mass1446.22
IUPAC Namecumene;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine
SMILESCC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cncnc1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1
InChIInChI=1S/C9H12.C8H18N2.2C8H11N.C8H17N.C8H11N.C7H10N2.C7H15NO.C7H15N.C7H11N.2C6H10N2/c1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8/h3-8H,1-2H3;8H,4-7H2,1-3H3;2*3-7H,1-2H3;8H,3-7H2,1-2H3;3-7H,1-2H3;3-6H,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3
InChIKeyRPIGFAKLOJNHSQ-UHFFFAOYSA-N
XLogP20.76
TPSA130.45 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms105
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001447.29
LogP ≤ 520.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze cumene;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine with MolForge

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Launch Full Analysis

Related Compounds

Vabametkib
CID 73504719
N-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-6-[7-[2-[4-(oxetan-3-yl)piperazin-1-yl]ethyl]imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-amine
CID 155587716
US10829493, Example 14
CID 155190305
US10829493, Example 15
CID 155190322
CID 118364782
CID 118364782
8-methyl-9-[6-(1-methylpyrazol-4-yl)-3-pyridinyl]-N-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-5,6-dihydropyrazolo[3,4-h]quinazolin-2-amine
CID 71664474
(S)-2-((6-(1-methyl-1H-pyrazol-4-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl)methyl)-4-(5-(4-(morpholinomethyl)phenyl)pyrimidin-2-yl)morpholine
CID 73504720
(S)-4-(5-(3-fluoro-4-(morpholinomethyl)phenyl)pyrimidin-2-yl)-2-((6-(1-methyl-1H-pyrazol-4-yl)-1H-[1,2,3]triazolo[4,5-b]pyrazin-1-yl)methyl)morpholine
CID 73505782
4-[5-[3-Fluoro-4-[(4-methylpiperazin-1-yl)methyl]phenyl]pyrimidin-2-yl]-2-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]morpholine
CID 118364827
(2S)-2-[[4-[4-[4-(5-benzylpyrimidin-2-yl)piperazin-1-yl]pyrrolo[2,1-f][1,2,4]triazin-6-yl]pyrazol-1-yl]methyl]morpholine
CID 118032959
US9725449, Example 150
CID 122687160
US11459329, Example 58
CID 152177361

Frequently Asked Questions

What is the IUPAC name of cumene;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine?
The IUPAC name of cumene;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine (CID 160690406) is cumene;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine.
What is the SMILES notation for cumene;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine?
The canonical SMILES for cumene;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine is CC(C)N1CCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CC(C)c1ccccc1.CC(C)c1ccccn1.CC(C)c1cccnc1.CC(C)c1ccncc1.CC(C)c1cncnc1.CC(C)n1cccc1.CC(C)n1cccn1.CC(C)n1ccnc1.
What is the InChIKey of cumene;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine?
The InChIKey is RPIGFAKLOJNHSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12.C8H18N2.2C8H11N.C8H17N.C8H11N.C7H10N2.C7H15NO.C7H15N.C7H11N.2C6H10N2/c1-8(2)9-6-4-3-5-7-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)8-3-5-9-6-4-8;1-7(2)8-4-3-5-9-6-8;1-8(2)9-6-4-3-5-7-9;1-7(2)8-5-3-4-6-9-8;1-6(2)7-3-8-5-9-4-7;1-7(2)8-3-5-9-6-4-8;2*1-7(2)8-5-3-4-6-8;1-6(2)8-4-3-7-5-8;1-6(2)8-5-3-4-7-8/h3-8H,1-2H3;8H,4-7H2,1-3H3;2*3-7H,1-2H3;8H,3-7H2,1-2H3;3-7H,1-2H3;3-6H,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;3-7H,1-2H3;2*3-6H,1-2H3.
What are the key properties of cumene;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine?
cumene;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine has a molecular weight of 1447.29 g/mol, XLogP of 20.76, 12 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for cumene;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylimidazole;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrazole;2-propan-2-ylpyridine;3-propan-2-ylpyridine;4-propan-2-ylpyridine;5-propan-2-ylpyrimidine;1-propan-2-ylpyrrole;1-propan-2-ylpyrrolidine is sourced from PubChem (CID 160690406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).