2-(dimethylamino)acetic acid;bis(2-(dimethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone);8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

C84H104N24O4 — CID 159187429

About 2-(dimethylamino)acetic acid;bis(2-(dimethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone);8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine

2-(dimethylamino)acetic acid;bis(2-(dimethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone);8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (PubChem CID 159187429) has the molecular formula C84H104N24O4 and a molecular weight of 1513.92 g/mol. Its IUPAC name is 2-(dimethylamino)acetic acid;bis(2-(dimethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone);8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.

Molecular Properties

• Compound Name: 2-(dimethylamino)acetic acid;bis(2-(dimethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone);8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
• PubChem CID: 159187429
• Molecular Formula: C84H104N24O4
• Molecular Weight: 1513.92 g/mol
• Exact Mass: 1512.87
• IUPAC Name: 2-(dimethylamino)acetic acid;bis(2-(dimethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone);8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine
• SMILES: CC1CCC(n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCN(C(=O)CN(C)C)C5)nc32)CC1.CC1CCC(n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCN(C(=O)CN(C)C)C5)nc32)CC1.CC1CCC(n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCNC5)nc32)CC1.CN(C)CC(=O)O
• InChI: InChI=1S/2C28H34N8O.C24H27N7.C4H9NO2/c2*1-18-4-7-20(8-5-18)36-24-15-29-12-10-21(24)22-14-30-28(33-27(22)36)32-25-9-6-19-16-35(13-11-23(19)31-25)26(37)17-34(2)3;1-15-2-5-17(6-3-15)31-21-14-26-10-8-18(21)19-13-27-24(30-23(19)31)29-22-7-4-16-12-25-11-9-20(16)28-22;1-5(2)3-4(6)7/h2*6,9-10,12,14-15,18,20H,4-5,7-8,11,13,16-17H2,1-3H3,(H,30,31,32,33);4,7-8,10,13-15,17,25H,2-3,5-6,9,11-12H2,1H3,(H,27,28,29,30);3H2,1-2H3,(H,6,7)
• InChIKey: KNQYBCNKCLLBFT-UHFFFAOYSA-N
• XLogP: 12.78
• TPSA: 305.23 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 15
• Heavy Atoms: 112
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1513.92
LogP ≤ 5	12.78
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)acetic acid;bis(2-(dimethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone);8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?

The IUPAC name of 2-(dimethylamino)acetic acid;bis(2-(dimethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone);8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine (CID 159187429) is 2-(dimethylamino)acetic acid;bis(2-(dimethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone);8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine.

What is the SMILES notation for 2-(dimethylamino)acetic acid;bis(2-(dimethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone);8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?

The canonical SMILES for 2-(dimethylamino)acetic acid;bis(2-(dimethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone);8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is CC1CCC(n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCN(C(=O)CN(C)C)C5)nc32)CC1.CC1CCC(n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCN(C(=O)CN(C)C)C5)nc32)CC1.CC1CCC(n2c3cnccc3c3cnc(Nc4ccc5c(n4)CCNC5)nc32)CC1.CN(C)CC(=O)O.

What is the InChIKey of 2-(dimethylamino)acetic acid;bis(2-(dimethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone);8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?

The InChIKey is KNQYBCNKCLLBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H34N8O.C24H27N7.C4H9NO2/c2*1-18-4-7-20(8-5-18)36-24-15-29-12-10-21(24)22-14-30-28(33-27(22)36)32-25-9-6-19-16-35(13-11-23(19)31-25)26(37)17-34(2)3;1-15-2-5-17(6-3-15)31-21-14-26-10-8-18(21)19-13-27-24(30-23(19)31)29-22-7-4-16-12-25-11-9-20(16)28-22;1-5(2)3-4(6)7/h2*6,9-10,12,14-15,18,20H,4-5,7-8,11,13,16-17H2,1-3H3,(H,30,31,32,33);4,7-8,10,13-15,17,25H,2-3,5-6,9,11-12H2,1H3,(H,27,28,29,30);3H2,1-2H3,(H,6,7).

What are the key properties of 2-(dimethylamino)acetic acid;bis(2-(dimethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone);8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine?

2-(dimethylamino)acetic acid;bis(2-(dimethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone);8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine has a molecular weight of 1513.92 g/mol, XLogP of 12.78, 15 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(dimethylamino)acetic acid;bis(2-(dimethylamino)-1-[2-[[8-(4-methylcyclohexyl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-yl]amino]-7,8-dihydro-5H-1,6-naphthyridin-6-yl]ethanone);8-(4-methylcyclohexyl)-N-(5,6,7,8-tetrahydro-1,6-naphthyridin-2-yl)-4,6,8,11-tetrazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-5-amine is sourced from PubChem (CID 159187429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).