benzyl N-[(1-cyclohexylpyrrolidin-2-yl)methyl]carbamate;benzyl N-(pyrrolidin-2-ylmethyl)carbamate;tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(1-cyclohexylpyrrolidin-2-yl)methanamine;N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2,2-difluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1,3-dihydroindene-5-carboxamide;bis((E)-N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2-methyl-3-phenylprop-2-en-1-amine)

C144H216F2N16O11 — CID 160744211

IUPACbenzyl N-[(1-cyclohexylpyrrolidin-2-yl)methyl]carbamate;benzyl N-(pyrrolidin-2-ylmethyl)carbamate;tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(1-cyclohexylpyrrolidin-2-yl)methanamine;N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2,2-difluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1,3-dihydroindene-5-carboxamide;bis((E)-N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2-methyl-3-phenylprop-2-en-1-amine)
SMILESC/C(=C\c1ccccc1)CN(CC1CCCN1C1CCCCC1)C(=O)c1ccc2c(c1)CC(F)(F)C2.C/C(=C\c1ccccc1)CNCC1CCCN1C1CCCCC1.C/C(=C\c1ccccc1)CNCC1CCCN1C1CCCCC1.CC(C)(C)OC(=O)N1CCCC1CN.CC(C)(C)OC(=O)N1CCCC1CNC(=O)OCc1ccccc1.NCC1CCCN1C1CCCCC1.O=C(NCC1CCCN1)OCc1ccccc1.O=C(NCC1CCCN1C1CCCCC1)OCc1ccccc1
InChIInChI=1S/C31H38F2N2O.2C21H32N2.C19H28N2O2.C18H26N2O4.C13H18N2O2.C11H22N2.C10H20N2O2/c1-23(17-24-9-4-2-5-10-24)21-34(22-29-13-8-16-35(29)28-11-6-3-7-12-28)30(36)25-14-15-26-19-31(32,33)20-27(26)18-25;2*1-18(15-19-9-4-2-5-10-19)16-22-17-21-13-8-14-23(21)20-11-6-3-7-12-20;22-19(23-15-16-8-3-1-4-9-16)20-14-18-12-7-13-21(18)17-10-5-2-6-11-17;1-18(2,3)24-17(22)20-11-7-10-15(20)12-19-16(21)23-13-14-8-5-4-6-9-14;16-13(15-9-12-7-4-8-14-12)17-10-11-5-2-1-3-6-11;12-9-11-7-4-8-13(11)10-5-2-1-3-6-10;1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h2,4-5,9-10,14-15,17-18,28-29H,3,6-8,11-13,16,19-22H2,1H3;2*2,4-5,9-10,15,20-22H,3,6-8,11-14,16-17H2,1H3;1,3-4,8-9,17-18H,2,5-7,10-15H2,(H,20,22);4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21);1-3,5-6,12,14H,4,7-10H2,(H,15,16);10-11H,1-9,12H2;8H,4-7,11H2,1-3H3/b23-17+;2*18-15+;;;;;
InChIKeyRVZFGFFCFLSMNY-RXMCDANLSA-N
MW2385.41 g/mol
LogP27.49
Rot. Bonds35

About benzyl N-[(1-cyclohexylpyrrolidin-2-yl)methyl]carbamate;benzyl N-(pyrrolidin-2-ylmethyl)carbamate;tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(1-cyclohexylpyrrolidin-2-yl)methanamine;N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2,2-difluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1,3-dihydroindene-5-carboxamide;bis((E)-N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2-methyl-3-phenylprop-2-en-1-amine)

benzyl N-[(1-cyclohexylpyrrolidin-2-yl)methyl]carbamate;benzyl N-(pyrrolidin-2-ylmethyl)carbamate;tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(1-cyclohexylpyrrolidin-2-yl)methanamine;N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2,2-difluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1,3-dihydroindene-5-carboxamide;bis((E)-N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2-methyl-3-phenylprop-2-en-1-amine) (PubChem CID 160744211) has the molecular formula C144H216F2N16O11 and a molecular weight of 2385.41 g/mol. Its IUPAC name is benzyl N-[(1-cyclohexylpyrrolidin-2-yl)methyl]carbamate;benzyl N-(pyrrolidin-2-ylmethyl)carbamate;tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(1-cyclohexylpyrrolidin-2-yl)methanamine;N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2,2-difluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1,3-dihydroindene-5-carboxamide;bis((E)-N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2-methyl-3-phenylprop-2-en-1-amine).

Molecular Properties

Compound Namebenzyl N-[(1-cyclohexylpyrrolidin-2-yl)methyl]carbamate;benzyl N-(pyrrolidin-2-ylmethyl)carbamate;tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(1-cyclohexylpyrrolidin-2-yl)methanamine;N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2,2-difluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1,3-dihydroindene-5-carboxamide;bis((E)-N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2-methyl-3-phenylprop-2-en-1-amine)
PubChem CID160744211
Molecular FormulaC144H216F2N16O11
Molecular Weight2385.41 g/mol
Exact Mass2383.68
IUPAC Namebenzyl N-[(1-cyclohexylpyrrolidin-2-yl)methyl]carbamate;benzyl N-(pyrrolidin-2-ylmethyl)carbamate;tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(1-cyclohexylpyrrolidin-2-yl)methanamine;N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2,2-difluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1,3-dihydroindene-5-carboxamide;bis((E)-N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2-methyl-3-phenylprop-2-en-1-amine)
SMILESC/C(=C\c1ccccc1)CN(CC1CCCN1C1CCCCC1)C(=O)c1ccc2c(c1)CC(F)(F)C2.C/C(=C\c1ccccc1)CNCC1CCCN1C1CCCCC1.C/C(=C\c1ccccc1)CNCC1CCCN1C1CCCCC1.CC(C)(C)OC(=O)N1CCCC1CN.CC(C)(C)OC(=O)N1CCCC1CNC(=O)OCc1ccccc1.NCC1CCCN1C1CCCCC1.O=C(NCC1CCCN1)OCc1ccccc1.O=C(NCC1CCCN1C1CCCCC1)OCc1ccccc1
InChIInChI=1S/C31H38F2N2O.2C21H32N2.C19H28N2O2.C18H26N2O4.C13H18N2O2.C11H22N2.C10H20N2O2/c1-23(17-24-9-4-2-5-10-24)21-34(22-29-13-8-16-35(29)28-11-6-3-7-12-28)30(36)25-14-15-26-19-31(32,33)20-27(26)18-25;2*1-18(15-19-9-4-2-5-10-19)16-22-17-21-13-8-14-23(21)20-11-6-3-7-12-20;22-19(23-15-16-8-3-1-4-9-16)20-14-18-12-7-13-21(18)17-10-5-2-6-11-17;1-18(2,3)24-17(22)20-11-7-10-15(20)12-19-16(21)23-13-14-8-5-4-6-9-14;16-13(15-9-12-7-4-8-14-12)17-10-11-5-2-1-3-6-11;12-9-11-7-4-8-13(11)10-5-2-1-3-6-10;1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h2,4-5,9-10,14-15,17-18,28-29H,3,6-8,11-13,16,19-22H2,1H3;2*2,4-5,9-10,15,20-22H,3,6-8,11-14,16-17H2,1H3;1,3-4,8-9,17-18H,2,5-7,10-15H2,(H,20,22);4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21);1-3,5-6,12,14H,4,7-10H2,(H,15,16);10-11H,1-9,12H2;8H,4-7,11H2,1-3H3/b23-17+;2*18-15+;;;;;
InChIKeyRVZFGFFCFLSMNY-RXMCDANLSA-N
XLogP27.49
TPSA298.71 Ų
H-Bond Donors8
H-Bond Acceptors21
Rotatable Bonds35
Heavy Atoms173
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002385.41
LogP ≤ 527.49
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze benzyl N-[(1-cyclohexylpyrrolidin-2-yl)methyl]carbamate;benzyl N-(pyrrolidin-2-ylmethyl)carbamate;tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(1-cyclohexylpyrrolidin-2-yl)methanamine;N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2,2-difluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1,3-dihydroindene-5-carboxamide;bis((E)-N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2-methyl-3-phenylprop-2-en-1-amine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1-cyclohexylpyrrolidin-2-yl)methyl]carbamate;benzyl N-(pyrrolidin-2-ylmethyl)carbamate;tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(1-cyclohexylpyrrolidin-2-yl)methanamine;N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2,2-difluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1,3-dihydroindene-5-carboxamide;bis((E)-N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2-methyl-3-phenylprop-2-en-1-amine)?
The IUPAC name of benzyl N-[(1-cyclohexylpyrrolidin-2-yl)methyl]carbamate;benzyl N-(pyrrolidin-2-ylmethyl)carbamate;tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(1-cyclohexylpyrrolidin-2-yl)methanamine;N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2,2-difluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1,3-dihydroindene-5-carboxamide;bis((E)-N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2-methyl-3-phenylprop-2-en-1-amine) (CID 160744211) is benzyl N-[(1-cyclohexylpyrrolidin-2-yl)methyl]carbamate;benzyl N-(pyrrolidin-2-ylmethyl)carbamate;tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(1-cyclohexylpyrrolidin-2-yl)methanamine;N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2,2-difluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1,3-dihydroindene-5-carboxamide;bis((E)-N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2-methyl-3-phenylprop-2-en-1-amine).
What is the SMILES notation for benzyl N-[(1-cyclohexylpyrrolidin-2-yl)methyl]carbamate;benzyl N-(pyrrolidin-2-ylmethyl)carbamate;tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(1-cyclohexylpyrrolidin-2-yl)methanamine;N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2,2-difluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1,3-dihydroindene-5-carboxamide;bis((E)-N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2-methyl-3-phenylprop-2-en-1-amine)?
The canonical SMILES for benzyl N-[(1-cyclohexylpyrrolidin-2-yl)methyl]carbamate;benzyl N-(pyrrolidin-2-ylmethyl)carbamate;tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(1-cyclohexylpyrrolidin-2-yl)methanamine;N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2,2-difluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1,3-dihydroindene-5-carboxamide;bis((E)-N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2-methyl-3-phenylprop-2-en-1-amine) is C/C(=C\c1ccccc1)CN(CC1CCCN1C1CCCCC1)C(=O)c1ccc2c(c1)CC(F)(F)C2.C/C(=C\c1ccccc1)CNCC1CCCN1C1CCCCC1.C/C(=C\c1ccccc1)CNCC1CCCN1C1CCCCC1.CC(C)(C)OC(=O)N1CCCC1CN.CC(C)(C)OC(=O)N1CCCC1CNC(=O)OCc1ccccc1.NCC1CCCN1C1CCCCC1.O=C(NCC1CCCN1)OCc1ccccc1.O=C(NCC1CCCN1C1CCCCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1-cyclohexylpyrrolidin-2-yl)methyl]carbamate;benzyl N-(pyrrolidin-2-ylmethyl)carbamate;tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(1-cyclohexylpyrrolidin-2-yl)methanamine;N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2,2-difluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1,3-dihydroindene-5-carboxamide;bis((E)-N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2-methyl-3-phenylprop-2-en-1-amine)?
The InChIKey is RVZFGFFCFLSMNY-RXMCDANLSA-N. The full InChI is InChI=1S/C31H38F2N2O.2C21H32N2.C19H28N2O2.C18H26N2O4.C13H18N2O2.C11H22N2.C10H20N2O2/c1-23(17-24-9-4-2-5-10-24)21-34(22-29-13-8-16-35(29)28-11-6-3-7-12-28)30(36)25-14-15-26-19-31(32,33)20-27(26)18-25;2*1-18(15-19-9-4-2-5-10-19)16-22-17-21-13-8-14-23(21)20-11-6-3-7-12-20;22-19(23-15-16-8-3-1-4-9-16)20-14-18-12-7-13-21(18)17-10-5-2-6-11-17;1-18(2,3)24-17(22)20-11-7-10-15(20)12-19-16(21)23-13-14-8-5-4-6-9-14;16-13(15-9-12-7-4-8-14-12)17-10-11-5-2-1-3-6-11;12-9-11-7-4-8-13(11)10-5-2-1-3-6-10;1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h2,4-5,9-10,14-15,17-18,28-29H,3,6-8,11-13,16,19-22H2,1H3;2*2,4-5,9-10,15,20-22H,3,6-8,11-14,16-17H2,1H3;1,3-4,8-9,17-18H,2,5-7,10-15H2,(H,20,22);4-6,8-9,15H,7,10-13H2,1-3H3,(H,19,21);1-3,5-6,12,14H,4,7-10H2,(H,15,16);10-11H,1-9,12H2;8H,4-7,11H2,1-3H3/b23-17+;2*18-15+;;;;;.
What are the key properties of benzyl N-[(1-cyclohexylpyrrolidin-2-yl)methyl]carbamate;benzyl N-(pyrrolidin-2-ylmethyl)carbamate;tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(1-cyclohexylpyrrolidin-2-yl)methanamine;N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2,2-difluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1,3-dihydroindene-5-carboxamide;bis((E)-N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2-methyl-3-phenylprop-2-en-1-amine)?
benzyl N-[(1-cyclohexylpyrrolidin-2-yl)methyl]carbamate;benzyl N-(pyrrolidin-2-ylmethyl)carbamate;tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(1-cyclohexylpyrrolidin-2-yl)methanamine;N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2,2-difluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1,3-dihydroindene-5-carboxamide;bis((E)-N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2-methyl-3-phenylprop-2-en-1-amine) has a molecular weight of 2385.41 g/mol, XLogP of 27.49, 35 rotatable bonds, 8 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1-cyclohexylpyrrolidin-2-yl)methyl]carbamate;benzyl N-(pyrrolidin-2-ylmethyl)carbamate;tert-butyl 2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl 2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;(1-cyclohexylpyrrolidin-2-yl)methanamine;N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2,2-difluoro-N-[(E)-2-methyl-3-phenylprop-2-enyl]-1,3-dihydroindene-5-carboxamide;bis((E)-N-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2-methyl-3-phenylprop-2-en-1-amine) is sourced from PubChem (CID 160744211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).