N-[(5-bromo-1H-indol-3-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine

C15H20BrN3 — CID 116651174

IUPACN-[(5-bromo-1H-indol-3-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(Cc1c[nH]c2ccc(Br)cc12)C(CN)C1CC1
InChIInChI=1S/C15H20BrN3/c1-19(15(7-17)10-2-3-10)9-11-8-18-14-5-4-12(16)6-13(11)14/h4-6,8,10,15,18H,2-3,7,9,17H2,1H3
InChIKeyNADYJEDSUQOMMS-UHFFFAOYSA-N
MW322.25 g/mol
LogP3.10
Rot. Bonds5

About N-[(5-bromo-1H-indol-3-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine

N-[(5-bromo-1H-indol-3-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine (PubChem CID 116651174) has the molecular formula C15H20BrN3 and a molecular weight of 322.25 g/mol. Its IUPAC name is N-[(5-bromo-1H-indol-3-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[(5-bromo-1H-indol-3-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
PubChem CID116651174
Molecular FormulaC15H20BrN3
Molecular Weight322.25 g/mol
Exact Mass321.08
IUPAC NameN-[(5-bromo-1H-indol-3-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(Cc1c[nH]c2ccc(Br)cc12)C(CN)C1CC1
InChIInChI=1S/C15H20BrN3/c1-19(15(7-17)10-2-3-10)9-11-8-18-14-5-4-12(16)6-13(11)14/h4-6,8,10,15,18H,2-3,7,9,17H2,1H3
InChIKeyNADYJEDSUQOMMS-UHFFFAOYSA-N
XLogP3.10
TPSA45.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.25
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze N-[(5-bromo-1H-indol-3-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N-[(5-bromo-1H-indol-3-yl)methyl]-1-N,4-dimethylpentane-1,3-diamine
CID 115317116
1-cyclopropyl-N-[(4,5-dibromofuran-2-yl)methyl]-N-methylethane-1,2-diamine
CID 116651521
5-bromo-3-(cyclobutylmethyl)-1H-indole
CID 106985526
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696
(S)-(5-bromo-1H-indol-3-yl)-cyclobutylmethanamine
CID 95431608
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 102841973
2-[(5-bromo-1H-indol-3-yl)methylamino]-2-cyclopropylacetic acid
CID 65060268
5-bromo-3-(chloromethyl)-1H-indole
CID 66854082
(1R)-1-(5-bromo-1H-indol-3-yl)-2-cyclopropylethanamine;hydrochloride
CID 171206288
6-bromo-3-ethyl-1H-quinolin-4-one
CID 123462325
(2S)-2-amino-3-(5-bromo-1H-indol-3-yl)propan-1-ol
CID 121221172
5-bromo-3-[(1-methylpyrrolidin-2-yl)methyl]-1H-indole
CID 15521562

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-1H-indol-3-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The IUPAC name of N-[(5-bromo-1H-indol-3-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine (CID 116651174) is N-[(5-bromo-1H-indol-3-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[(5-bromo-1H-indol-3-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-[(5-bromo-1H-indol-3-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine is CN(Cc1c[nH]c2ccc(Br)cc12)C(CN)C1CC1.
What is the InChIKey of N-[(5-bromo-1H-indol-3-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The InChIKey is NADYJEDSUQOMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3/c1-19(15(7-17)10-2-3-10)9-11-8-18-14-5-4-12(16)6-13(11)14/h4-6,8,10,15,18H,2-3,7,9,17H2,1H3.
What are the key properties of N-[(5-bromo-1H-indol-3-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
N-[(5-bromo-1H-indol-3-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine has a molecular weight of 322.25 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-1H-indol-3-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 116651174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).