3-bromopropan-1-amine;tert-butyl formate;tert-butyl N-[3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propyl]carbamate;3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propan-1-amine;4-(1H-pyrrol-3-yl)-9H-indeno[2,1-b]pyridine;hydrochloride

C67H77BrClN9O4 — CID 160948561

About 3-bromopropan-1-amine;tert-butyl formate;tert-butyl N-[3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propyl]carbamate;3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propan-1-amine;4-(1H-pyrrol-3-yl)-9H-indeno[2,1-b]pyridine;hydrochloride

3-bromopropan-1-amine;tert-butyl formate;tert-butyl N-[3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propyl]carbamate;3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propan-1-amine;4-(1H-pyrrol-3-yl)-9H-indeno[2,1-b]pyridine;hydrochloride (PubChem CID 160948561) has the molecular formula C67H77BrClN9O4 and a molecular weight of 1187.77 g/mol. Its IUPAC name is 3-bromopropan-1-amine;tert-butyl formate;tert-butyl N-[3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propyl]carbamate;3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propan-1-amine;4-(1H-pyrrol-3-yl)-9H-indeno[2,1-b]pyridine;hydrochloride.

Molecular Properties

• Compound Name: 3-bromopropan-1-amine;tert-butyl formate;tert-butyl N-[3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propyl]carbamate;3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propan-1-amine;4-(1H-pyrrol-3-yl)-9H-indeno[2,1-b]pyridine;hydrochloride
• PubChem CID: 160948561
• Molecular Formula: C67H77BrClN9O4
• Molecular Weight: 1187.77 g/mol
• Exact Mass: 1185.50
• IUPAC Name: 3-bromopropan-1-amine;tert-butyl formate;tert-butyl N-[3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propyl]carbamate;3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propan-1-amine;4-(1H-pyrrol-3-yl)-9H-indeno[2,1-b]pyridine;hydrochloride
• SMILES: CC(C)(C)OC(=O)NCCCn1ccc(-c2ccnc3c2-c2ccccc2C3)c1.CC(C)(C)OC=O.Cl.NCCCBr.NCCCn1ccc(-c2ccnc3c2-c2ccccc2C3)c1.c1ccc2c(c1)Cc1nccc(-c3cc[nH]c3)c1-2
• InChI: InChI=1S/C24H27N3O2.C19H19N3.C16H12N2.C5H10O2.C3H8BrN.ClH/c1-24(2,3)29-23(28)26-11-6-13-27-14-10-18(16-27)20-9-12-25-21-15-17-7-4-5-8-19(17)22(20)21;20-8-3-10-22-11-7-15(13-22)17-6-9-21-18-12-14-4-1-2-5-16(14)19(17)18;1-2-4-13-11(3-1)9-15-16(13)14(6-8-18-15)12-5-7-17-10-12;1-5(2,3)7-4-6;4-2-1-3-5;/h4-5,7-10,12,14,16H,6,11,13,15H2,1-3H3,(H,26,28);1-2,4-7,9,11,13H,3,8,10,12,20H2;1-8,10,17H,9H2;4H,1-3H3;1-3,5H2;1H
• InChIKey: QOUHOIICIYLQLF-UHFFFAOYSA-N
• XLogP: 14.26
• TPSA: 180.99 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 82
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1187.77
LogP ≤ 5	14.26
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-bromopropan-1-amine;tert-butyl formate;tert-butyl N-[3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propyl]carbamate;3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propan-1-amine;4-(1H-pyrrol-3-yl)-9H-indeno[2,1-b]pyridine;hydrochloride?

The IUPAC name of 3-bromopropan-1-amine;tert-butyl formate;tert-butyl N-[3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propyl]carbamate;3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propan-1-amine;4-(1H-pyrrol-3-yl)-9H-indeno[2,1-b]pyridine;hydrochloride (CID 160948561) is 3-bromopropan-1-amine;tert-butyl formate;tert-butyl N-[3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propyl]carbamate;3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propan-1-amine;4-(1H-pyrrol-3-yl)-9H-indeno[2,1-b]pyridine;hydrochloride.

What is the SMILES notation for 3-bromopropan-1-amine;tert-butyl formate;tert-butyl N-[3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propyl]carbamate;3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propan-1-amine;4-(1H-pyrrol-3-yl)-9H-indeno[2,1-b]pyridine;hydrochloride?

The canonical SMILES for 3-bromopropan-1-amine;tert-butyl formate;tert-butyl N-[3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propyl]carbamate;3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propan-1-amine;4-(1H-pyrrol-3-yl)-9H-indeno[2,1-b]pyridine;hydrochloride is CC(C)(C)OC(=O)NCCCn1ccc(-c2ccnc3c2-c2ccccc2C3)c1.CC(C)(C)OC=O.Cl.NCCCBr.NCCCn1ccc(-c2ccnc3c2-c2ccccc2C3)c1.c1ccc2c(c1)Cc1nccc(-c3cc[nH]c3)c1-2.

What is the InChIKey of 3-bromopropan-1-amine;tert-butyl formate;tert-butyl N-[3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propyl]carbamate;3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propan-1-amine;4-(1H-pyrrol-3-yl)-9H-indeno[2,1-b]pyridine;hydrochloride?

The InChIKey is QOUHOIICIYLQLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2.C19H19N3.C16H12N2.C5H10O2.C3H8BrN.ClH/c1-24(2,3)29-23(28)26-11-6-13-27-14-10-18(16-27)20-9-12-25-21-15-17-7-4-5-8-19(17)22(20)21;20-8-3-10-22-11-7-15(13-22)17-6-9-21-18-12-14-4-1-2-5-16(14)19(17)18;1-2-4-13-11(3-1)9-15-16(13)14(6-8-18-15)12-5-7-17-10-12;1-5(2,3)7-4-6;4-2-1-3-5;/h4-5,7-10,12,14,16H,6,11,13,15H2,1-3H3,(H,26,28);1-2,4-7,9,11,13H,3,8,10,12,20H2;1-8,10,17H,9H2;4H,1-3H3;1-3,5H2;1H.

What are the key properties of 3-bromopropan-1-amine;tert-butyl formate;tert-butyl N-[3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propyl]carbamate;3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propan-1-amine;4-(1H-pyrrol-3-yl)-9H-indeno[2,1-b]pyridine;hydrochloride?

3-bromopropan-1-amine;tert-butyl formate;tert-butyl N-[3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propyl]carbamate;3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propan-1-amine;4-(1H-pyrrol-3-yl)-9H-indeno[2,1-b]pyridine;hydrochloride has a molecular weight of 1187.77 g/mol, XLogP of 14.26, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-bromopropan-1-amine;tert-butyl formate;tert-butyl N-[3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propyl]carbamate;3-[3-(9H-indeno[2,1-b]pyridin-4-yl)pyrrol-1-yl]propan-1-amine;4-(1H-pyrrol-3-yl)-9H-indeno[2,1-b]pyridine;hydrochloride is sourced from PubChem (CID 160948561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).