[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 2-(3,5-diaminophenyl)acetate;4-[[4-[4-(4-methylcyclohexyl)cyclohexyl]phenoxy]methyl]benzene-1,3-diamine;[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] 2-(3,5-diaminophenyl)acetate;bis(4-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine);5-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine;5-[[4-(4-methylphenyl)phenoxy]methyl]benzene-1,3-diamine

C160H212N14O9 — CID 160537526

About [4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 2-(3,5-diaminophenyl)acetate;4-[[4-[4-(4-methylcyclohexyl)cyclohexyl]phenoxy]methyl]benzene-1,3-diamine;[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] 2-(3,5-diaminophenyl)acetate;bis(4-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine);5-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine;5-[[4-(4-methylphenyl)phenoxy]methyl]benzene-1,3-diamine

[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 2-(3,5-diaminophenyl)acetate;4-[[4-[4-(4-methylcyclohexyl)cyclohexyl]phenoxy]methyl]benzene-1,3-diamine;[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] 2-(3,5-diaminophenyl)acetate;bis(4-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine);5-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine;5-[[4-(4-methylphenyl)phenoxy]methyl]benzene-1,3-diamine (PubChem CID 160537526) has the molecular formula C160H212N14O9 and a molecular weight of 2475.54 g/mol. Its IUPAC name is [4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 2-(3,5-diaminophenyl)acetate;4-[[4-[4-(4-methylcyclohexyl)cyclohexyl]phenoxy]methyl]benzene-1,3-diamine;[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] 2-(3,5-diaminophenyl)acetate;bis(4-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine);5-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine;5-[[4-(4-methylphenyl)phenoxy]methyl]benzene-1,3-diamine.

Molecular Properties

• Compound Name: [4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 2-(3,5-diaminophenyl)acetate;4-[[4-[4-(4-methylcyclohexyl)cyclohexyl]phenoxy]methyl]benzene-1,3-diamine;[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] 2-(3,5-diaminophenyl)acetate;bis(4-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine);5-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine;5-[[4-(4-methylphenyl)phenoxy]methyl]benzene-1,3-diamine
• PubChem CID: 160537526
• Molecular Formula: C160H212N14O9
• Molecular Weight: 2475.54 g/mol
• Exact Mass: 2473.66
• IUPAC Name: [4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 2-(3,5-diaminophenyl)acetate;4-[[4-[4-(4-methylcyclohexyl)cyclohexyl]phenoxy]methyl]benzene-1,3-diamine;[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] 2-(3,5-diaminophenyl)acetate;bis(4-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine);5-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine;5-[[4-(4-methylphenyl)phenoxy]methyl]benzene-1,3-diamine
• SMILES: CC1CCC(C2CCC(C3CCC(OC(=O)Cc4cc(N)cc(N)c4)CC3)CC2)CC1.CC1CCC(C2CCC(c3ccc(OC(=O)Cc4cc(N)cc(N)c4)cc3)CC2)CC1.CC1CCC(C2CCC(c3ccc(OCc4ccc(N)cc4N)cc3)CC2)CC1.CC1CCC(c2ccc(OCc3cc(N)cc(N)c3)cc2)CC1.CC1CCC(c2ccc(OCc3ccc(N)cc3N)cc2)CC1.CC1CCC(c2ccc(OCc3ccc(N)cc3N)cc2)CC1.Cc1ccc(-c2ccc(OCc3cc(N)cc(N)c3)cc2)cc1
• InChI: InChI=1S/C27H42N2O2.C27H36N2O2.C26H36N2O.3C20H26N2O.C20H20N2O/c2*1-18-2-4-20(5-3-18)21-6-8-22(9-7-21)23-10-12-26(13-11-23)31-27(30)16-19-14-24(28)17-25(29)15-19;1-18-2-4-19(5-3-18)20-6-8-21(9-7-20)22-11-14-25(15-12-22)29-17-23-10-13-24(27)16-26(23)28;2*1-14-2-4-15(5-3-14)16-7-10-19(11-8-16)23-13-17-6-9-18(21)12-20(17)22;2*1-14-2-4-16(5-3-14)17-6-8-20(9-7-17)23-13-15-10-18(21)12-19(22)11-15/h14-15,17-18,20-23,26H,2-13,16,28-29H2,1H3;10-15,17-18,20-22H,2-9,16,28-29H2,1H3;10-16,18-21H,2-9,17,27-28H2,1H3;2*6-12,14-15H,2-5,13,21-22H2,1H3;6-12,14,16H,2-5,13,21-22H2,1H3;2-12H,13,21-22H2,1H3
• InChIKey: QWITULSJJFTHTO-UHFFFAOYSA-N
• XLogP: 37.33
• TPSA: 463.03 Ų
• H-Bond Donors: 14
• H-Bond Acceptors: 23
• Rotatable Bonds: 31
• Heavy Atoms: 183
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2475.54
LogP ≤ 5	37.33
H-Bond Donors ≤ 5	14
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 2-(3,5-diaminophenyl)acetate;4-[[4-[4-(4-methylcyclohexyl)cyclohexyl]phenoxy]methyl]benzene-1,3-diamine;[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] 2-(3,5-diaminophenyl)acetate;bis(4-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine);5-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine;5-[[4-(4-methylphenyl)phenoxy]methyl]benzene-1,3-diamine?

The IUPAC name of [4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 2-(3,5-diaminophenyl)acetate;4-[[4-[4-(4-methylcyclohexyl)cyclohexyl]phenoxy]methyl]benzene-1,3-diamine;[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] 2-(3,5-diaminophenyl)acetate;bis(4-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine);5-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine;5-[[4-(4-methylphenyl)phenoxy]methyl]benzene-1,3-diamine (CID 160537526) is [4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 2-(3,5-diaminophenyl)acetate;4-[[4-[4-(4-methylcyclohexyl)cyclohexyl]phenoxy]methyl]benzene-1,3-diamine;[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] 2-(3,5-diaminophenyl)acetate;bis(4-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine);5-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine;5-[[4-(4-methylphenyl)phenoxy]methyl]benzene-1,3-diamine.

What is the SMILES notation for [4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 2-(3,5-diaminophenyl)acetate;4-[[4-[4-(4-methylcyclohexyl)cyclohexyl]phenoxy]methyl]benzene-1,3-diamine;[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] 2-(3,5-diaminophenyl)acetate;bis(4-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine);5-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine;5-[[4-(4-methylphenyl)phenoxy]methyl]benzene-1,3-diamine?

The canonical SMILES for [4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 2-(3,5-diaminophenyl)acetate;4-[[4-[4-(4-methylcyclohexyl)cyclohexyl]phenoxy]methyl]benzene-1,3-diamine;[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] 2-(3,5-diaminophenyl)acetate;bis(4-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine);5-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine;5-[[4-(4-methylphenyl)phenoxy]methyl]benzene-1,3-diamine is CC1CCC(C2CCC(C3CCC(OC(=O)Cc4cc(N)cc(N)c4)CC3)CC2)CC1.CC1CCC(C2CCC(c3ccc(OC(=O)Cc4cc(N)cc(N)c4)cc3)CC2)CC1.CC1CCC(C2CCC(c3ccc(OCc4ccc(N)cc4N)cc3)CC2)CC1.CC1CCC(c2ccc(OCc3cc(N)cc(N)c3)cc2)CC1.CC1CCC(c2ccc(OCc3ccc(N)cc3N)cc2)CC1.CC1CCC(c2ccc(OCc3ccc(N)cc3N)cc2)CC1.Cc1ccc(-c2ccc(OCc3cc(N)cc(N)c3)cc2)cc1.

What is the InChIKey of [4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 2-(3,5-diaminophenyl)acetate;4-[[4-[4-(4-methylcyclohexyl)cyclohexyl]phenoxy]methyl]benzene-1,3-diamine;[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] 2-(3,5-diaminophenyl)acetate;bis(4-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine);5-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine;5-[[4-(4-methylphenyl)phenoxy]methyl]benzene-1,3-diamine?

The InChIKey is QWITULSJJFTHTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H42N2O2.C27H36N2O2.C26H36N2O.3C20H26N2O.C20H20N2O/c2*1-18-2-4-20(5-3-18)21-6-8-22(9-7-21)23-10-12-26(13-11-23)31-27(30)16-19-14-24(28)17-25(29)15-19;1-18-2-4-19(5-3-18)20-6-8-21(9-7-20)22-11-14-25(15-12-22)29-17-23-10-13-24(27)16-26(23)28;2*1-14-2-4-15(5-3-14)16-7-10-19(11-8-16)23-13-17-6-9-18(21)12-20(17)22;2*1-14-2-4-16(5-3-14)17-6-8-20(9-7-17)23-13-15-10-18(21)12-19(22)11-15/h14-15,17-18,20-23,26H,2-13,16,28-29H2,1H3;10-15,17-18,20-22H,2-9,16,28-29H2,1H3;10-16,18-21H,2-9,17,27-28H2,1H3;2*6-12,14-15H,2-5,13,21-22H2,1H3;6-12,14,16H,2-5,13,21-22H2,1H3;2-12H,13,21-22H2,1H3.

What are the key properties of [4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 2-(3,5-diaminophenyl)acetate;4-[[4-[4-(4-methylcyclohexyl)cyclohexyl]phenoxy]methyl]benzene-1,3-diamine;[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] 2-(3,5-diaminophenyl)acetate;bis(4-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine);5-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine;5-[[4-(4-methylphenyl)phenoxy]methyl]benzene-1,3-diamine?

[4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 2-(3,5-diaminophenyl)acetate;4-[[4-[4-(4-methylcyclohexyl)cyclohexyl]phenoxy]methyl]benzene-1,3-diamine;[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] 2-(3,5-diaminophenyl)acetate;bis(4-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine);5-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine;5-[[4-(4-methylphenyl)phenoxy]methyl]benzene-1,3-diamine has a molecular weight of 2475.54 g/mol, XLogP of 37.33, 31 rotatable bonds, 14 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[4-(4-methylcyclohexyl)cyclohexyl]cyclohexyl] 2-(3,5-diaminophenyl)acetate;4-[[4-[4-(4-methylcyclohexyl)cyclohexyl]phenoxy]methyl]benzene-1,3-diamine;[4-[4-(4-methylcyclohexyl)cyclohexyl]phenyl] 2-(3,5-diaminophenyl)acetate;bis(4-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine);5-[[4-(4-methylcyclohexyl)phenoxy]methyl]benzene-1,3-diamine;5-[[4-(4-methylphenyl)phenoxy]methyl]benzene-1,3-diamine is sourced from PubChem (CID 160537526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).