tert-butyl 4-[2-[6-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methoxy]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine

C43H61N3O5Si — CID 68920316

IUPACtert-butyl 4-[2-[6-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methoxy]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine
SMILESCNC.Cc1c(OCC2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc12
InChIInChI=1S/C41H54N2O5Si.C2H7N/c1-30-36(21-19-34-35(42-48-37(30)34)20-18-31-22-26-43(27-23-31)38(44)47-39(2,3)4)45-28-41(24-25-41)29-46-49(40(5,6)7,32-14-10-8-11-15-32)33-16-12-9-13-17-33;1-3-2/h8-17,19,21,31H,18,20,22-29H2,1-7H3;3H,1-2H3
InChIKeySFTREFWDXCPZHA-UHFFFAOYSA-N
MW728.06 g/mol
LogP8.29
Rot. Bonds11

About tert-butyl 4-[2-[6-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methoxy]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine

tert-butyl 4-[2-[6-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methoxy]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine (PubChem CID 68920316) has the molecular formula C43H61N3O5Si and a molecular weight of 728.06 g/mol. Its IUPAC name is tert-butyl 4-[2-[6-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methoxy]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine.

Molecular Properties

Compound Nametert-butyl 4-[2-[6-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methoxy]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine
PubChem CID68920316
Molecular FormulaC43H61N3O5Si
Molecular Weight728.06 g/mol
Exact Mass727.44
IUPAC Nametert-butyl 4-[2-[6-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methoxy]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine
SMILESCNC.Cc1c(OCC2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc12
InChIInChI=1S/C41H54N2O5Si.C2H7N/c1-30-36(21-19-34-35(42-48-37(30)34)20-18-31-22-26-43(27-23-31)38(44)47-39(2,3)4)45-28-41(24-25-41)29-46-49(40(5,6)7,32-14-10-8-11-15-32)33-16-12-9-13-17-33;1-3-2/h8-17,19,21,31H,18,20,22-29H2,1-7H3;3H,1-2H3
InChIKeySFTREFWDXCPZHA-UHFFFAOYSA-N
XLogP8.29
TPSA86.06 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500728.06
LogP ≤ 58.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[6-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methoxy]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine?
The IUPAC name of tert-butyl 4-[2-[6-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methoxy]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine (CID 68920316) is tert-butyl 4-[2-[6-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methoxy]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine.
What is the SMILES notation for tert-butyl 4-[2-[6-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methoxy]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine?
The canonical SMILES for tert-butyl 4-[2-[6-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methoxy]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine is CNC.Cc1c(OCC2(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)CC2)ccc2c(CCC3CCN(C(=O)OC(C)(C)C)CC3)noc12.
What is the InChIKey of tert-butyl 4-[2-[6-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methoxy]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine?
The InChIKey is SFTREFWDXCPZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H54N2O5Si.C2H7N/c1-30-36(21-19-34-35(42-48-37(30)34)20-18-31-22-26-43(27-23-31)38(44)47-39(2,3)4)45-28-41(24-25-41)29-46-49(40(5,6)7,32-14-10-8-11-15-32)33-16-12-9-13-17-33;1-3-2/h8-17,19,21,31H,18,20,22-29H2,1-7H3;3H,1-2H3.
What are the key properties of tert-butyl 4-[2-[6-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methoxy]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine?
tert-butyl 4-[2-[6-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methoxy]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine has a molecular weight of 728.06 g/mol, XLogP of 8.29, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[2-[6-[[1-[[tert-butyl(diphenyl)silyl]oxymethyl]cyclopropyl]methoxy]-7-methyl-1,2-benzoxazol-3-yl]ethyl]piperidine-1-carboxylate;N-methylmethanamine is sourced from PubChem (CID 68920316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).