6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;ethyl 3-amino-2,2-dimethylpropanoate;ethyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]-2,2-dimethylpropanoate

C56H82N2O7 — CID 158248181

About 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;ethyl 3-amino-2,2-dimethylpropanoate;ethyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]-2,2-dimethylpropanoate

6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;ethyl 3-amino-2,2-dimethylpropanoate;ethyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]-2,2-dimethylpropanoate (PubChem CID 158248181) has the molecular formula C56H82N2O7 and a molecular weight of 895.28 g/mol. Its IUPAC name is 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;ethyl 3-amino-2,2-dimethylpropanoate;ethyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]-2,2-dimethylpropanoate.

Molecular Properties

• Compound Name: 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;ethyl 3-amino-2,2-dimethylpropanoate;ethyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]-2,2-dimethylpropanoate
• PubChem CID: 158248181
• Molecular Formula: C56H82N2O7
• Molecular Weight: 895.28 g/mol
• Exact Mass: 894.61
• IUPAC Name: 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;ethyl 3-amino-2,2-dimethylpropanoate;ethyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]-2,2-dimethylpropanoate
• SMILES: CC(C)(C)C1CCC(Oc2ccc3cc(C=O)ccc3c2)CC1.CCOC(=O)C(C)(C)CN.CCOC(=O)C(C)(C)CNCc1ccc2cc(OC3CCC(C(C)(C)C)CC3)ccc2c1
• InChI: InChI=1S/C28H41NO3.C21H26O2.C7H15NO2/c1-7-31-26(30)28(5,6)19-29-18-20-8-9-22-17-25(13-10-21(22)16-20)32-24-14-11-23(12-15-24)27(2,3)4;1-21(2,3)18-7-10-19(11-8-18)23-20-9-6-16-12-15(14-22)4-5-17(16)13-20;1-4-10-6(9)7(2,3)5-8/h8-10,13,16-17,23-24,29H,7,11-12,14-15,18-19H2,1-6H3;4-6,9,12-14,18-19H,7-8,10-11H2,1-3H3;4-5,8H2,1-3H3
• InChIKey: GGJQZZUUZHOEHA-UHFFFAOYSA-N
• XLogP: 12.67
• TPSA: 126.18 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 14
• Heavy Atoms: 65
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	895.28
LogP ≤ 5	12.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;ethyl 3-amino-2,2-dimethylpropanoate;ethyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]-2,2-dimethylpropanoate?

The IUPAC name of 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;ethyl 3-amino-2,2-dimethylpropanoate;ethyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]-2,2-dimethylpropanoate (CID 158248181) is 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;ethyl 3-amino-2,2-dimethylpropanoate;ethyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]-2,2-dimethylpropanoate.

What is the SMILES notation for 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;ethyl 3-amino-2,2-dimethylpropanoate;ethyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]-2,2-dimethylpropanoate?

The canonical SMILES for 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;ethyl 3-amino-2,2-dimethylpropanoate;ethyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]-2,2-dimethylpropanoate is CC(C)(C)C1CCC(Oc2ccc3cc(C=O)ccc3c2)CC1.CCOC(=O)C(C)(C)CN.CCOC(=O)C(C)(C)CNCc1ccc2cc(OC3CCC(C(C)(C)C)CC3)ccc2c1.

What is the InChIKey of 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;ethyl 3-amino-2,2-dimethylpropanoate;ethyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]-2,2-dimethylpropanoate?

The InChIKey is GGJQZZUUZHOEHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H41NO3.C21H26O2.C7H15NO2/c1-7-31-26(30)28(5,6)19-29-18-20-8-9-22-17-25(13-10-21(22)16-20)32-24-14-11-23(12-15-24)27(2,3)4;1-21(2,3)18-7-10-19(11-8-18)23-20-9-6-16-12-15(14-22)4-5-17(16)13-20;1-4-10-6(9)7(2,3)5-8/h8-10,13,16-17,23-24,29H,7,11-12,14-15,18-19H2,1-6H3;4-6,9,12-14,18-19H,7-8,10-11H2,1-3H3;4-5,8H2,1-3H3.

What are the key properties of 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;ethyl 3-amino-2,2-dimethylpropanoate;ethyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]-2,2-dimethylpropanoate?

6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;ethyl 3-amino-2,2-dimethylpropanoate;ethyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]-2,2-dimethylpropanoate has a molecular weight of 895.28 g/mol, XLogP of 12.67, 14 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-tert-butylcyclohexyl)oxynaphthalene-2-carbaldehyde;ethyl 3-amino-2,2-dimethylpropanoate;ethyl 3-[[6-(4-tert-butylcyclohexyl)oxynaphthalen-2-yl]methylamino]-2,2-dimethylpropanoate is sourced from PubChem (CID 158248181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).