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;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine

C72H125N7O2 — CID 158781595

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;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine
SMILESCC(C)C1CCC(N2CCN(C(C)C)CC2)C1.CC(C)OC1CC(N(CC2CN(C(C)C)C2)C(C)C)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.C17H34N2O.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)18-9-15(10-18)11-19(13(3)4)16-7-17(8-16)20-14(5)6;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;12-17H,7-11H2,1-6H3;12-15H,5-11H2,1-4H3
InChIKeyIRDPKRDMKJABEN-UHFFFAOYSA-N
MW1120.84 g/mol
LogP16.31
Rot. Bonds20

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;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;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;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine (PubChem CID 158781595) has the molecular formula C72H125N7O2 and a molecular weight of 1120.84 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;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;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;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine
PubChem CID158781595
Molecular FormulaC72H125N7O2
Molecular Weight1120.84 g/mol
Exact Mass1119.99
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;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine
SMILESCC(C)C1CCC(N2CCN(C(C)C)CC2)C1.CC(C)OC1CC(N(CC2CN(C(C)C)C2)C(C)C)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.C17H34N2O.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)18-9-15(10-18)11-19(13(3)4)16-7-17(8-16)20-14(5)6;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;12-17H,7-11H2,1-6H3;12-15H,5-11H2,1-4H3
InChIKeyIRDPKRDMKJABEN-UHFFFAOYSA-N
XLogP16.31
TPSA52.48 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds20
Heavy Atoms81
Complexity

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001120.84
LogP ≤ 516.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine with MolForge

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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;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;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;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine (CID 158781595) 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;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;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;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;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;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine is CC(C)C1CCC(N2CCN(C(C)C)CC2)C1.CC(C)OC1CC(N(CC2CN(C(C)C)C2)C(C)C)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;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine?
The InChIKey is IRDPKRDMKJABEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2.C18H35NO.C17H34N2O.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)18-9-15(10-18)11-19(13(3)4)16-7-17(8-16)20-14(5)6;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;12-17H,7-11H2,1-6H3;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;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;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;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine has a molecular weight of 1120.84 g/mol, XLogP of 16.31, 20 rotatable bonds, 0 hydrogen bond donors, and 9 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;N-propan-2-yl-N-[(1-propan-2-ylazetidin-3-yl)methyl]-3-propan-2-yloxycyclobutan-1-amine;1-propan-2-yl-4-(3-propan-2-ylcyclopentyl)piperazine is sourced from PubChem (CID 158781595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).