benzyl N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methanamine

C73H118N10O10 — CID 160940921

IUPACbenzyl N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methanamine
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1CN.CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)OCc1ccccc1.NC[C@@H]1CCCN1CC1CCCCC1.O=C(NC[C@@H]1CCCN1)OCc1ccccc1.O=C(NC[C@@H]1CCCN1CC1CCCCC1)OCc1ccccc1
InChIInChI=1S/C20H30N2O2.C18H26N2O4.C13H18N2O2.C12H24N2.C10H20N2O2/c23-20(24-16-18-10-5-2-6-11-18)21-14-19-12-7-13-22(19)15-17-8-3-1-4-9-17;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;13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11;1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h2,5-6,10-11,17,19H,1,3-4,7-9,12-16H2,(H,21,23);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);11-12H,1-10,13H2;8H,4-7,11H2,1-3H3/t19-;15-;2*12-;8-/m00000/s1
InChIKeySUMPHBNKVKBPGT-NUTSTNQISA-N
MW1295.81 g/mol
LogP12.27
Rot. Bonds18

About benzyl N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methanamine

benzyl N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methanamine (PubChem CID 160940921) has the molecular formula C73H118N10O10 and a molecular weight of 1295.81 g/mol. Its IUPAC name is benzyl N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methanamine.

Molecular Properties

Compound Namebenzyl N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methanamine
PubChem CID160940921
Molecular FormulaC73H118N10O10
Molecular Weight1295.81 g/mol
Exact Mass1294.90
IUPAC Namebenzyl N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methanamine
SMILESCC(C)(C)OC(=O)N1CCC[C@H]1CN.CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)OCc1ccccc1.NC[C@@H]1CCCN1CC1CCCCC1.O=C(NC[C@@H]1CCCN1)OCc1ccccc1.O=C(NC[C@@H]1CCCN1CC1CCCCC1)OCc1ccccc1
InChIInChI=1S/C20H30N2O2.C18H26N2O4.C13H18N2O2.C12H24N2.C10H20N2O2/c23-20(24-16-18-10-5-2-6-11-18)21-14-19-12-7-13-22(19)15-17-8-3-1-4-9-17;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;13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11;1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h2,5-6,10-11,17,19H,1,3-4,7-9,12-16H2,(H,21,23);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);11-12H,1-10,13H2;8H,4-7,11H2,1-3H3/t19-;15-;2*12-;8-/m00000/s1
InChIKeySUMPHBNKVKBPGT-NUTSTNQISA-N
XLogP12.27
TPSA244.62 Ų
H-Bond Donors6
H-Bond Acceptors15
Rotatable Bonds18
Heavy Atoms93
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001295.81
LogP ≤ 512.27
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1015

Computed Properties (RDKit)

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

Analyze benzyl N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methanamine?
The IUPAC name of benzyl N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methanamine (CID 160940921) is benzyl N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methanamine.
What is the SMILES notation for benzyl N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methanamine?
The canonical SMILES for benzyl N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methanamine is CC(C)(C)OC(=O)N1CCC[C@H]1CN.CC(C)(C)OC(=O)N1CCC[C@H]1CNC(=O)OCc1ccccc1.NC[C@@H]1CCCN1CC1CCCCC1.O=C(NC[C@@H]1CCCN1)OCc1ccccc1.O=C(NC[C@@H]1CCCN1CC1CCCCC1)OCc1ccccc1.
What is the InChIKey of benzyl N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methanamine?
The InChIKey is SUMPHBNKVKBPGT-NUTSTNQISA-N. The full InChI is InChI=1S/C20H30N2O2.C18H26N2O4.C13H18N2O2.C12H24N2.C10H20N2O2/c23-20(24-16-18-10-5-2-6-11-18)21-14-19-12-7-13-22(19)15-17-8-3-1-4-9-17;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;13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11;1-10(2,3)14-9(13)12-6-4-5-8(12)7-11/h2,5-6,10-11,17,19H,1,3-4,7-9,12-16H2,(H,21,23);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);11-12H,1-10,13H2;8H,4-7,11H2,1-3H3/t19-;15-;2*12-;8-/m00000/s1.
What are the key properties of benzyl N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methanamine?
benzyl N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methanamine has a molecular weight of 1295.81 g/mol, XLogP of 12.27, 18 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]carbamate;benzyl N-[[(2S)-pyrrolidin-2-yl]methyl]carbamate;tert-butyl (2S)-2-(aminomethyl)pyrrolidine-1-carboxylate;tert-butyl (2S)-2-(phenylmethoxycarbonylaminomethyl)pyrrolidine-1-carboxylate;[(2S)-1-(cyclohexylmethyl)pyrrolidin-2-yl]methanamine is sourced from PubChem (CID 160940921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).