1-amino-N-[3-(dimethylamino)propyl]-2-methylindolizine-3-carboxamide;1-amino-N-ethyl-2-methylindolizine-3-carboxamide;1-amino-N,N,2-trimethylindolizine-3-carboxamide;2-N-ethyl-7-methoxy-3-methylindolizine-1,2-diamine;3-isocyano-2-methylindolizin-1-amine;methyl 1,7-diamino-2-methylindolizine-3-carboxylate;2-methyl-3-(trifluoromethyl)indolizin-1-amine

C82H100F3N21O6 — CID 160529767

About 1-amino-N-[3-(dimethylamino)propyl]-2-methylindolizine-3-carboxamide;1-amino-N-ethyl-2-methylindolizine-3-carboxamide;1-amino-N,N,2-trimethylindolizine-3-carboxamide;2-N-ethyl-7-methoxy-3-methylindolizine-1,2-diamine;3-isocyano-2-methylindolizin-1-amine;methyl 1,7-diamino-2-methylindolizine-3-carboxylate;2-methyl-3-(trifluoromethyl)indolizin-1-amine

1-amino-N-[3-(dimethylamino)propyl]-2-methylindolizine-3-carboxamide;1-amino-N-ethyl-2-methylindolizine-3-carboxamide;1-amino-N,N,2-trimethylindolizine-3-carboxamide;2-N-ethyl-7-methoxy-3-methylindolizine-1,2-diamine;3-isocyano-2-methylindolizin-1-amine;methyl 1,7-diamino-2-methylindolizine-3-carboxylate;2-methyl-3-(trifluoromethyl)indolizin-1-amine (PubChem CID 160529767) has the molecular formula C82H100F3N21O6 and a molecular weight of 1532.84 g/mol. Its IUPAC name is 1-amino-N-[3-(dimethylamino)propyl]-2-methylindolizine-3-carboxamide;1-amino-N-ethyl-2-methylindolizine-3-carboxamide;1-amino-N,N,2-trimethylindolizine-3-carboxamide;2-N-ethyl-7-methoxy-3-methylindolizine-1,2-diamine;3-isocyano-2-methylindolizin-1-amine;methyl 1,7-diamino-2-methylindolizine-3-carboxylate;2-methyl-3-(trifluoromethyl)indolizin-1-amine.

Molecular Properties

• Compound Name: 1-amino-N-[3-(dimethylamino)propyl]-2-methylindolizine-3-carboxamide;1-amino-N-ethyl-2-methylindolizine-3-carboxamide;1-amino-N,N,2-trimethylindolizine-3-carboxamide;2-N-ethyl-7-methoxy-3-methylindolizine-1,2-diamine;3-isocyano-2-methylindolizin-1-amine;methyl 1,7-diamino-2-methylindolizine-3-carboxylate;2-methyl-3-(trifluoromethyl)indolizin-1-amine
• PubChem CID: 160529767
• Molecular Formula: C82H100F3N21O6
• Molecular Weight: 1532.84 g/mol
• Exact Mass: 1531.81
• IUPAC Name: 1-amino-N-[3-(dimethylamino)propyl]-2-methylindolizine-3-carboxamide;1-amino-N-ethyl-2-methylindolizine-3-carboxamide;1-amino-N,N,2-trimethylindolizine-3-carboxamide;2-N-ethyl-7-methoxy-3-methylindolizine-1,2-diamine;3-isocyano-2-methylindolizin-1-amine;methyl 1,7-diamino-2-methylindolizine-3-carboxylate;2-methyl-3-(trifluoromethyl)indolizin-1-amine
• SMILES: CCNC(=O)c1c(C)c(N)c2ccccn12.CCNc1c(N)c2cc(OC)ccn2c1C.COC(=O)c1c(C)c(N)c2cc(N)ccn12.Cc1c(N)c2ccccn2c1C(=O)N(C)C.Cc1c(N)c2ccccn2c1C(=O)NCCCN(C)C.Cc1c(N)c2ccccn2c1C(F)(F)F.[C-]#[N+]c1c(C)c(N)c2ccccn12
• InChI: InChI=1S/C15H22N4O.C12H15N3O.C12H17N3O.C12H15N3O.C11H13N3O2.C10H9F3N2.C10H9N3/c1-11-13(16)12-7-4-5-10-19(12)14(11)15(20)17-8-6-9-18(2)3;1-8-10(13)9-6-4-5-7-15(9)11(8)12(16)14(2)3;1-4-14-12-8(2)15-6-5-9(16-3)7-10(15)11(12)13;1-3-14-12(16)11-8(2)10(13)9-6-4-5-7-15(9)11;1-6-9(13)8-5-7(12)3-4-14(8)10(6)11(15)16-2;1-6-8(14)7-4-2-3-5-15(7)9(6)10(11,12)13;1-7-9(11)8-5-3-4-6-13(8)10(7)12-2/h4-5,7,10H,6,8-9,16H2,1-3H3,(H,17,20);4-7H,13H2,1-3H3;5-7,14H,4,13H2,1-3H3;4-7H,3,13H2,1-2H3,(H,14,16);3-5H,12-13H2,1-2H3;2-5H,14H2,1H3;3-6H,11H2,1H3
• InChIKey: QVJRHTJRRWZCLY-UHFFFAOYSA-N
• XLogP: 13.32
• TPSA: 372.70 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1532.84
LogP ≤ 5	13.32
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-[3-(dimethylamino)propyl]-2-methylindolizine-3-carboxamide;1-amino-N-ethyl-2-methylindolizine-3-carboxamide;1-amino-N,N,2-trimethylindolizine-3-carboxamide;2-N-ethyl-7-methoxy-3-methylindolizine-1,2-diamine;3-isocyano-2-methylindolizin-1-amine;methyl 1,7-diamino-2-methylindolizine-3-carboxylate;2-methyl-3-(trifluoromethyl)indolizin-1-amine?

The IUPAC name of 1-amino-N-[3-(dimethylamino)propyl]-2-methylindolizine-3-carboxamide;1-amino-N-ethyl-2-methylindolizine-3-carboxamide;1-amino-N,N,2-trimethylindolizine-3-carboxamide;2-N-ethyl-7-methoxy-3-methylindolizine-1,2-diamine;3-isocyano-2-methylindolizin-1-amine;methyl 1,7-diamino-2-methylindolizine-3-carboxylate;2-methyl-3-(trifluoromethyl)indolizin-1-amine (CID 160529767) is 1-amino-N-[3-(dimethylamino)propyl]-2-methylindolizine-3-carboxamide;1-amino-N-ethyl-2-methylindolizine-3-carboxamide;1-amino-N,N,2-trimethylindolizine-3-carboxamide;2-N-ethyl-7-methoxy-3-methylindolizine-1,2-diamine;3-isocyano-2-methylindolizin-1-amine;methyl 1,7-diamino-2-methylindolizine-3-carboxylate;2-methyl-3-(trifluoromethyl)indolizin-1-amine.

What is the SMILES notation for 1-amino-N-[3-(dimethylamino)propyl]-2-methylindolizine-3-carboxamide;1-amino-N-ethyl-2-methylindolizine-3-carboxamide;1-amino-N,N,2-trimethylindolizine-3-carboxamide;2-N-ethyl-7-methoxy-3-methylindolizine-1,2-diamine;3-isocyano-2-methylindolizin-1-amine;methyl 1,7-diamino-2-methylindolizine-3-carboxylate;2-methyl-3-(trifluoromethyl)indolizin-1-amine?

The canonical SMILES for 1-amino-N-[3-(dimethylamino)propyl]-2-methylindolizine-3-carboxamide;1-amino-N-ethyl-2-methylindolizine-3-carboxamide;1-amino-N,N,2-trimethylindolizine-3-carboxamide;2-N-ethyl-7-methoxy-3-methylindolizine-1,2-diamine;3-isocyano-2-methylindolizin-1-amine;methyl 1,7-diamino-2-methylindolizine-3-carboxylate;2-methyl-3-(trifluoromethyl)indolizin-1-amine is CCNC(=O)c1c(C)c(N)c2ccccn12.CCNc1c(N)c2cc(OC)ccn2c1C.COC(=O)c1c(C)c(N)c2cc(N)ccn12.Cc1c(N)c2ccccn2c1C(=O)N(C)C.Cc1c(N)c2ccccn2c1C(=O)NCCCN(C)C.Cc1c(N)c2ccccn2c1C(F)(F)F.[C-]#[N+]c1c(C)c(N)c2ccccn12.

What is the InChIKey of 1-amino-N-[3-(dimethylamino)propyl]-2-methylindolizine-3-carboxamide;1-amino-N-ethyl-2-methylindolizine-3-carboxamide;1-amino-N,N,2-trimethylindolizine-3-carboxamide;2-N-ethyl-7-methoxy-3-methylindolizine-1,2-diamine;3-isocyano-2-methylindolizin-1-amine;methyl 1,7-diamino-2-methylindolizine-3-carboxylate;2-methyl-3-(trifluoromethyl)indolizin-1-amine?

The InChIKey is QVJRHTJRRWZCLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O.C12H15N3O.C12H17N3O.C12H15N3O.C11H13N3O2.C10H9F3N2.C10H9N3/c1-11-13(16)12-7-4-5-10-19(12)14(11)15(20)17-8-6-9-18(2)3;1-8-10(13)9-6-4-5-7-15(9)11(8)12(16)14(2)3;1-4-14-12-8(2)15-6-5-9(16-3)7-10(15)11(12)13;1-3-14-12(16)11-8(2)10(13)9-6-4-5-7-15(9)11;1-6-9(13)8-5-7(12)3-4-14(8)10(6)11(15)16-2;1-6-8(14)7-4-2-3-5-15(7)9(6)10(11,12)13;1-7-9(11)8-5-3-4-6-13(8)10(7)12-2/h4-5,7,10H,6,8-9,16H2,1-3H3,(H,17,20);4-7H,13H2,1-3H3;5-7,14H,4,13H2,1-3H3;4-7H,3,13H2,1-2H3,(H,14,16);3-5H,12-13H2,1-2H3;2-5H,14H2,1H3;3-6H,11H2,1H3.

What are the key properties of 1-amino-N-[3-(dimethylamino)propyl]-2-methylindolizine-3-carboxamide;1-amino-N-ethyl-2-methylindolizine-3-carboxamide;1-amino-N,N,2-trimethylindolizine-3-carboxamide;2-N-ethyl-7-methoxy-3-methylindolizine-1,2-diamine;3-isocyano-2-methylindolizin-1-amine;methyl 1,7-diamino-2-methylindolizine-3-carboxylate;2-methyl-3-(trifluoromethyl)indolizin-1-amine?

1-amino-N-[3-(dimethylamino)propyl]-2-methylindolizine-3-carboxamide;1-amino-N-ethyl-2-methylindolizine-3-carboxamide;1-amino-N,N,2-trimethylindolizine-3-carboxamide;2-N-ethyl-7-methoxy-3-methylindolizine-1,2-diamine;3-isocyano-2-methylindolizin-1-amine;methyl 1,7-diamino-2-methylindolizine-3-carboxylate;2-methyl-3-(trifluoromethyl)indolizin-1-amine has a molecular weight of 1532.84 g/mol, XLogP of 13.32, 12 rotatable bonds, 11 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for 1-amino-N-[3-(dimethylamino)propyl]-2-methylindolizine-3-carboxamide;1-amino-N-ethyl-2-methylindolizine-3-carboxamide;1-amino-N,N,2-trimethylindolizine-3-carboxamide;2-N-ethyl-7-methoxy-3-methylindolizine-1,2-diamine;3-isocyano-2-methylindolizin-1-amine;methyl 1,7-diamino-2-methylindolizine-3-carboxylate;2-methyl-3-(trifluoromethyl)indolizin-1-amine is sourced from PubChem (CID 160529767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).