4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

C87H115FN10O4S2 — CID 167666416

About 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine

4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine (PubChem CID 167666416) has the molecular formula C87H115FN10O4S2 and a molecular weight of 1448.07 g/mol. Its IUPAC name is 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine.

Molecular Properties

• Compound Name: 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
• PubChem CID: 167666416
• Molecular Formula: C87H115FN10O4S2
• Molecular Weight: 1448.07 g/mol
• Exact Mass: 1446.85
• IUPAC Name: 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine
• SMILES: C#CCN(C)[C@H](C)Cc1ccccc1.C#CCN[C@@H]1CCc2ccccc21.CCCN(CCC)CCc1cccc2c1CC(=O)N2.CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1.CCCN[C@H]1CCc2nc(N)sc2C1.C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O
• InChI: InChI=1S/C19H25NOS.C17H19FN2O2.C16H24N2O.C13H17N.C12H13N.C10H17N3S/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21;1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14;1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15;1-4-10-14(3)12(2)11-13-8-6-5-7-9-13;1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h3-7,13,16,21H,2,8-12,14H2,1H3;2-9,12,20H,10-11H2,1H3,(H2,19,21);5-7H,3-4,8-12H2,1-2H3,(H,17,19);1,5-9,12H,10-11H2,2-3H3;1,3-6,12-13H,7-9H2;7,12H,2-6H2,1H3,(H2,11,13)/t16-;12-;;2*12-;7-/m00.110/s1
• InChIKey: SSCNBCJMCHHBPH-GGFXYVROSA-N
• XLogP: 15.14
• TPSA: 186.37 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 14
• Rotatable Bonds: 29
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1448.07
LogP ≤ 5	15.14
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?

The IUPAC name of 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine (CID 167666416) is 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine.

What is the SMILES notation for 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?

The canonical SMILES for 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine is C#CCN(C)[C@H](C)Cc1ccccc1.C#CCN[C@@H]1CCc2ccccc21.CCCN(CCC)CCc1cccc2c1CC(=O)N2.CCCN(CCc1cccs1)[C@H]1CCc2c(O)cccc2C1.CCCN[C@H]1CCc2nc(N)sc2C1.C[C@H](NCc1ccc(OCc2cccc(F)c2)cc1)C(N)=O.

What is the InChIKey of 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?

The InChIKey is SSCNBCJMCHHBPH-GGFXYVROSA-N. The full InChI is InChI=1S/C19H25NOS.C17H19FN2O2.C16H24N2O.C13H17N.C12H13N.C10H17N3S/c1-2-11-20(12-10-17-6-4-13-22-17)16-8-9-18-15(14-16)5-3-7-19(18)21;1-12(17(19)21)20-10-13-5-7-16(8-6-13)22-11-14-3-2-4-15(18)9-14;1-3-9-18(10-4-2)11-8-13-6-5-7-15-14(13)12-16(19)17-15;1-4-10-14(3)12(2)11-13-8-6-5-7-9-13;1-2-9-13-12-8-7-10-5-3-4-6-11(10)12;1-2-5-12-7-3-4-8-9(6-7)14-10(11)13-8/h3-7,13,16,21H,2,8-12,14H2,1H3;2-9,12,20H,10-11H2,1H3,(H2,19,21);5-7H,3-4,8-12H2,1-2H3,(H,17,19);1,5-9,12H,10-11H2,2-3H3;1,3-6,12-13H,7-9H2;7,12H,2-6H2,1H3,(H2,11,13)/t16-;12-;;2*12-;7-/m00.110/s1.

What are the key properties of 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine?

4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine has a molecular weight of 1448.07 g/mol, XLogP of 15.14, 29 rotatable bonds, 7 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[2-(dipropylamino)ethyl]-1,3-dihydroindol-2-one;(2S)-2-[[4-[(3-fluorophenyl)methoxy]phenyl]methylamino]propanamide;(2R)-N-methyl-1-phenyl-N-prop-2-ynylpropan-2-amine;(6S)-6-N-propyl-4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine;(6S)-6-[propyl(2-thiophen-2-ylethyl)amino]-5,6,7,8-tetrahydronaphthalen-1-ol;(1R)-N-prop-2-ynyl-2,3-dihydro-1H-inden-1-amine is sourced from PubChem (CID 167666416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).