N-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine

C14H17BrN2 — CID 62567358

IUPACN-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine
SMILESBrc1ccc2ccn(CCCNC3CC3)c2c1
InChIInChI=1S/C14H17BrN2/c15-12-3-2-11-6-9-17(14(11)10-12)8-1-7-16-13-4-5-13/h2-3,6,9-10,13,16H,1,4-5,7-8H2
InChIKeyHZVPXZDSELRJQU-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.55
Rot. Bonds5

About N-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine

N-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine (PubChem CID 62567358) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is N-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine
PubChem CID62567358
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC NameN-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine
SMILESBrc1ccc2ccn(CCCNC3CC3)c2c1
InChIInChI=1S/C14H17BrN2/c15-12-3-2-11-6-9-17(14(11)10-12)8-1-7-16-13-4-5-13/h2-3,6,9-10,13,16H,1,4-5,7-8H2
InChIKeyHZVPXZDSELRJQU-UHFFFAOYSA-N
XLogP3.55
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine (CID 62567358) is N-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine is Brc1ccc2ccn(CCCNC3CC3)c2c1.
What is the InChIKey of N-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine?
The InChIKey is HZVPXZDSELRJQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c15-12-3-2-11-6-9-17(14(11)10-12)8-1-7-16-13-4-5-13/h2-3,6,9-10,13,16H,1,4-5,7-8H2.
What are the key properties of N-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine?
N-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine has a molecular weight of 293.21 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(6-bromoindol-1-yl)propyl]cyclopropanamine is sourced from PubChem (CID 62567358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).