N-[(5-bromo-2,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine

C14H17BrN2 — CID 113420784

IUPACN-[(5-bromo-2,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine
SMILESCc1[nH]c2c(C)cc(Br)cc2c1CNC1CC1
InChIInChI=1S/C14H17BrN2/c1-8-5-10(15)6-12-13(7-16-11-3-4-11)9(2)17-14(8)12/h5-6,11,16-17H,3-4,7H2,1-2H3
InChIKeyKZNUVHUXJACALD-UHFFFAOYSA-N
MW293.21 g/mol
LogP3.80
Rot. Bonds3

About N-[(5-bromo-2,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine

N-[(5-bromo-2,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine (PubChem CID 113420784) has the molecular formula C14H17BrN2 and a molecular weight of 293.21 g/mol. Its IUPAC name is N-[(5-bromo-2,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(5-bromo-2,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine
PubChem CID113420784
Molecular FormulaC14H17BrN2
Molecular Weight293.21 g/mol
Exact Mass292.06
IUPAC NameN-[(5-bromo-2,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine
SMILESCc1[nH]c2c(C)cc(Br)cc2c1CNC1CC1
InChIInChI=1S/C14H17BrN2/c1-8-5-10(15)6-12-13(7-16-11-3-4-11)9(2)17-14(8)12/h5-6,11,16-17H,3-4,7H2,1-2H3
InChIKeyKZNUVHUXJACALD-UHFFFAOYSA-N
XLogP3.80
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.21
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(5-bromo-2,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine (CID 113420784) is N-[(5-bromo-2,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(5-bromo-2,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(5-bromo-2,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine is Cc1[nH]c2c(C)cc(Br)cc2c1CNC1CC1.
What is the InChIKey of N-[(5-bromo-2,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine?
The InChIKey is KZNUVHUXJACALD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2/c1-8-5-10(15)6-12-13(7-16-11-3-4-11)9(2)17-14(8)12/h5-6,11,16-17H,3-4,7H2,1-2H3.
What are the key properties of N-[(5-bromo-2,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine?
N-[(5-bromo-2,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine has a molecular weight of 293.21 g/mol, XLogP of 3.80, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2,7-dimethyl-1H-indol-3-yl)methyl]cyclopropanamine is sourced from PubChem (CID 113420784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).