1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;N,N-dimethylcyclohexanamine;4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazole;N,N-dimethylpyridin-4-amine;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine;trans-(1S,2S)-1-N,1-N,2-N,2-N-tetramethylcyclohexane-1,2-diamine

C101H172N20 — CID 157473560

About 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;N,N-dimethylcyclohexanamine;4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazole;N,N-dimethylpyridin-4-amine;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine;trans-(1S,2S)-1-N,1-N,2-N,2-N-tetramethylcyclohexane-1,2-diamine

1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;N,N-dimethylcyclohexanamine;4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazole;N,N-dimethylpyridin-4-amine;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine;trans-(1S,2S)-1-N,1-N,2-N,2-N-tetramethylcyclohexane-1,2-diamine (PubChem CID 157473560) has the molecular formula C101H172N20 and a molecular weight of 1666.63 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;N,N-dimethylcyclohexanamine;4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazole;N,N-dimethylpyridin-4-amine;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine;trans-(1S,2S)-1-N,1-N,2-N,2-N-tetramethylcyclohexane-1,2-diamine.

Molecular Properties

• Compound Name: 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;N,N-dimethylcyclohexanamine;4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazole;N,N-dimethylpyridin-4-amine;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine;trans-(1S,2S)-1-N,1-N,2-N,2-N-tetramethylcyclohexane-1,2-diamine
• PubChem CID: 157473560
• Molecular Formula: C101H172N20
• Molecular Weight: 1666.63 g/mol
• Exact Mass: 1665.41
• IUPAC Name: 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;N,N-dimethylcyclohexanamine;4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazole;N,N-dimethylpyridin-4-amine;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine;trans-(1S,2S)-1-N,1-N,2-N,2-N-tetramethylcyclohexane-1,2-diamine
• SMILES: C1CCC2=NCCCN2CC1.C1CCN2C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]2C1.C1CN=C2NCCCN2C1.CC1=C(C)N(C(C)C)CN1C(C)C.CN(C)C1CCCCC1.CN(C)[C@H]1CCCC[C@@H]1N(C)C.CN(C)c1ccncc1.CN1CCCN2CCCN=C12.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)C2)c(C)c1.c1ccncc1
• InChI: InChI=1S/C21H26N2.C15H26N2.C11H22N2.C10H22N2.C9H16N2.C8H15N3.C8H17N.C7H13N3.C7H10N2.C5H5N/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;1-8(2)12-7-13(9(3)4)11(6)10(12)5;1-11(2)9-7-5-6-8-10(9)12(3)4;1-2-5-9-10-6-4-8-11(9)7-3-1;1-10-5-3-7-11-6-2-4-9-8(10)11;1-9(2)8-6-4-3-5-7-8;1-3-8-7-9-4-2-6-10(7)5-1;1-9(2)7-3-5-8-6-4-7;1-2-4-6-5-3-1/h7-12H,13H2,1-6H3;12-15H,1-11H2;8-9H,7H2,1-6H3;9-10H,5-8H2,1-4H3;1-8H2;2-7H2,1H3;8H,3-7H2,1-2H3;1-6H2,(H,8,9);3-6H,1-2H3;1-5H/t;12-,13-,14-,15+;;9-,10-;;;;;;/m.1.0....../s1
• InChIKey: HNWJZEKMZVAJQM-MQAXUXHCSA-N
• XLogP: 17.89
• TPSA: 120.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 20
• Rotatable Bonds: 8
• Heavy Atoms: 121
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1666.63
LogP ≤ 5	17.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;N,N-dimethylcyclohexanamine;4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazole;N,N-dimethylpyridin-4-amine;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine;trans-(1S,2S)-1-N,1-N,2-N,2-N-tetramethylcyclohexane-1,2-diamine?

The IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;N,N-dimethylcyclohexanamine;4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazole;N,N-dimethylpyridin-4-amine;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine;trans-(1S,2S)-1-N,1-N,2-N,2-N-tetramethylcyclohexane-1,2-diamine (CID 157473560) is 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;N,N-dimethylcyclohexanamine;4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazole;N,N-dimethylpyridin-4-amine;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine;trans-(1S,2S)-1-N,1-N,2-N,2-N-tetramethylcyclohexane-1,2-diamine.

What is the SMILES notation for 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;N,N-dimethylcyclohexanamine;4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazole;N,N-dimethylpyridin-4-amine;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine;trans-(1S,2S)-1-N,1-N,2-N,2-N-tetramethylcyclohexane-1,2-diamine?

The canonical SMILES for 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;N,N-dimethylcyclohexanamine;4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazole;N,N-dimethylpyridin-4-amine;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine;trans-(1S,2S)-1-N,1-N,2-N,2-N-tetramethylcyclohexane-1,2-diamine is C1CCC2=NCCCN2CC1.C1CCN2C[C@H]3C[C@H](CN4CCCC[C@@H]34)[C@H]2C1.C1CN=C2NCCCN2C1.CC1=C(C)N(C(C)C)CN1C(C)C.CN(C)C1CCCCC1.CN(C)[C@H]1CCCC[C@@H]1N(C)C.CN(C)c1ccncc1.CN1CCCN2CCCN=C12.Cc1cc(C)c(N2C=CN(c3c(C)cc(C)cc3C)C2)c(C)c1.c1ccncc1.

What is the InChIKey of 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;N,N-dimethylcyclohexanamine;4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazole;N,N-dimethylpyridin-4-amine;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine;trans-(1S,2S)-1-N,1-N,2-N,2-N-tetramethylcyclohexane-1,2-diamine?

The InChIKey is HNWJZEKMZVAJQM-MQAXUXHCSA-N. The full InChI is InChI=1S/C21H26N2.C15H26N2.C11H22N2.C10H22N2.C9H16N2.C8H15N3.C8H17N.C7H13N3.C7H10N2.C5H5N/c1-14-9-16(3)20(17(4)10-14)22-7-8-23(13-22)21-18(5)11-15(2)12-19(21)6;1-3-7-16-11-13-9-12(14(16)5-1)10-17-8-4-2-6-15(13)17;1-8(2)12-7-13(9(3)4)11(6)10(12)5;1-11(2)9-7-5-6-8-10(9)12(3)4;1-2-5-9-10-6-4-8-11(9)7-3-1;1-10-5-3-7-11-6-2-4-9-8(10)11;1-9(2)8-6-4-3-5-7-8;1-3-8-7-9-4-2-6-10(7)5-1;1-9(2)7-3-5-8-6-4-7;1-2-4-6-5-3-1/h7-12H,13H2,1-6H3;12-15H,1-11H2;8-9H,7H2,1-6H3;9-10H,5-8H2,1-4H3;1-8H2;2-7H2,1H3;8H,3-7H2,1-2H3;1-6H2,(H,8,9);3-6H,1-2H3;1-5H/t;12-,13-,14-,15+;;9-,10-;;;;;;/m.1.0....../s1.

What are the key properties of 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;N,N-dimethylcyclohexanamine;4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazole;N,N-dimethylpyridin-4-amine;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine;trans-(1S,2S)-1-N,1-N,2-N,2-N-tetramethylcyclohexane-1,2-diamine?

1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;N,N-dimethylcyclohexanamine;4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazole;N,N-dimethylpyridin-4-amine;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine;trans-(1S,2S)-1-N,1-N,2-N,2-N-tetramethylcyclohexane-1,2-diamine has a molecular weight of 1666.63 g/mol, XLogP of 17.89, 8 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole;(1R,2S,9R,10R)-7,15-diazatetracyclo[7.7.1.02,7.010,15]heptadecane;N,N-dimethylcyclohexanamine;4,5-dimethyl-1,3-di(propan-2-yl)-2H-imidazole;N,N-dimethylpyridin-4-amine;3,4,6,7,8,9-hexahydro-2H-pyrimido[1,2-a]pyrimidine;1-methyl-2,3,4,6,7,8-hexahydropyrimido[1,2-a]pyrimidine;2,3,4,6,7,8,9,10-octahydropyrimido[1,2-a]azepine;pyridine;trans-(1S,2S)-1-N,1-N,2-N,2-N-tetramethylcyclohexane-1,2-diamine is sourced from PubChem (CID 157473560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).