N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine

C55H91N5O — CID 161118620

IUPACN-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine
SMILESCC(C)C1CCC(N2CCN(C(C)C)CC2)C1.CC(C)c1ccc(-c2ccc(-c3cnc(C(C)C)n3C)cc2)cc1.CC1CCC(CN(C(C)C)C2CC(OC(C)C)C2)CC1
InChIInChI=1S/C22H26N2.C18H35NO.C15H30N2/c1-15(2)17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-23-22(16(3)4)24(21)5;1-13(2)19(12-16-8-6-15(5)7-9-16)17-10-18(11-17)20-14(3)4;1-12(2)14-5-6-15(11-14)17-9-7-16(8-10-17)13(3)4/h6-16H,1-5H3;13-18H,6-12H2,1-5H3;12-15H,5-11H2,1-4H3
InChIKeyUKQOJXNNAGIMRJ-UHFFFAOYSA-N
MW838.37 g/mol
LogP13.32
Rot. Bonds13

About N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine

N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine (PubChem CID 161118620) has the molecular formula C55H91N5O and a molecular weight of 838.37 g/mol. Its IUPAC name is N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine.

Molecular Properties

Compound NameN-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine
PubChem CID161118620
Molecular FormulaC55H91N5O
Molecular Weight838.37 g/mol
Exact Mass837.72
IUPAC NameN-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine
SMILESCC(C)C1CCC(N2CCN(C(C)C)CC2)C1.CC(C)c1ccc(-c2ccc(-c3cnc(C(C)C)n3C)cc2)cc1.CC1CCC(CN(C(C)C)C2CC(OC(C)C)C2)CC1
InChIInChI=1S/C22H26N2.C18H35NO.C15H30N2/c1-15(2)17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-23-22(16(3)4)24(21)5;1-13(2)19(12-16-8-6-15(5)7-9-16)17-10-18(11-17)20-14(3)4;1-12(2)14-5-6-15(11-14)17-9-7-16(8-10-17)13(3)4/h6-16H,1-5H3;13-18H,6-12H2,1-5H3;12-15H,5-11H2,1-4H3
InChIKeyUKQOJXNNAGIMRJ-UHFFFAOYSA-N
XLogP13.32
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500838.37
LogP ≤ 513.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine with MolForge

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Launch Full Analysis

Related Compounds

1-[[1-(4-Fluorophenyl)-5-methyl-2-(4-propan-2-ylphenyl)imidazol-4-yl]methyl]-4-methoxypiperidine
CID 155550606
4-[3-[[(2R)-oxolan-2-yl]methyl]-5-phenylimidazol-4-yl]-2-propan-2-ylpyrimidine
CID 95130874
5-[1-(cyclohex-1-en-1-ylmethyl)-4-phenyl-1H-imidazol-5-yl]-2-(2-methoxyethyl)pyrimidine
CID 50968018
1-[1-benzyl-4-(2-fluoro-5-methylphenyl)imidazol-2-yl]-N,N-dimethyl-1-(oxan-4-yl)methanamine
CID 123891312
(Z)-3-[4-[1-[2-[ethyl(propan-2-yl)amino]ethyl]-4-(4-fluoro-3-methylphenyl)imidazol-2-yl]piperidin-1-yl]-N'-[(E)-2-methylbut-1-enyl]-2-propan-2-yloxybut-2-enimidamide
CID 130255541
1-(3,6-dihydro-2H-pyran-4-yl)-2-(2-fluorophenyl)-4-(4-methylphenyl)imidazole
CID 175741381
4-[6-[2-(1-Methyl-4-phenylimidazol-2-yl)ethyl]-2-pyridinyl]-1,4-oxazine
CID 165416112
3-([1,1'-biphenyl]-4-yl)-1-(tetrahydro-2H-pyran-4-yl)-1,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium bromide
CID 163409463
3-([1,1'-Biphenyl]-4-yl)-1-((1r,4r)-4-methoxycyclohexyl)-1,5,6,7,8,9-hexahydroimidazo[1,2-a]azepin-4-ium bromide
CID 163409515
4-(1-{3-[(1-methylpiperidin-4-yl)oxy]propyl}-4-phenyl-1H-imidazol-5-yl)pyridine
CID 50956281
2-isopropyl-4-[4-phenyl-1-(tetrahydrofuran-2-ylmethyl)-1H-imidazol-5-yl]pyrimidine
CID 50968371
3-[5-[(2-Cyclohexylpiperidin-1-yl)methyl]-2-(2,6-diethylphenyl)-1-(2-methoxyethyl)imidazol-4-yl]pyridine
CID 58669684

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine?
The IUPAC name of N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine (CID 161118620) is N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine.
What is the SMILES notation for N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine?
The canonical SMILES for N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine is CC(C)C1CCC(N2CCN(C(C)C)CC2)C1.CC(C)c1ccc(-c2ccc(-c3cnc(C(C)C)n3C)cc2)cc1.CC1CCC(CN(C(C)C)C2CC(OC(C)C)C2)CC1.
What is the InChIKey of N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine?
The InChIKey is UKQOJXNNAGIMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2.C18H35NO.C15H30N2/c1-15(2)17-6-8-18(9-7-17)19-10-12-20(13-11-19)21-14-23-22(16(3)4)24(21)5;1-13(2)19(12-16-8-6-15(5)7-9-16)17-10-18(11-17)20-14(3)4;1-12(2)14-5-6-15(11-14)17-9-7-16(8-10-17)13(3)4/h6-16H,1-5H3;13-18H,6-12H2,1-5H3;12-15H,5-11H2,1-4H3.
What are the key properties of N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine?
N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine has a molecular weight of 838.37 g/mol, XLogP of 13.32, 13 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylcyclohexyl)methyl]-N-propan-2-yl-3-propan-2-yloxycyclobutan-1-amine;1-methyl-2-propan-2-yl-5-[4-(4-propan-2-ylphenyl)phenyl]imidazole;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine is sourced from PubChem (CID 161118620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).