2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide

C13H18BrN3 — CID 107279116

IUPAC2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)C2CCCC2)cc1Br
InChIInChI=1S/C13H18BrN3/c1-17(9-4-2-3-5-9)10-6-7-11(13(15)16)12(14)8-10/h6-9H,2-5H2,1H3,(H3,15,16)
InChIKeyLASBBJPEIPMPFT-UHFFFAOYSA-N
MW296.21 g/mol
LogP3.11
Rot. Bonds3

About 2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide

2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide (PubChem CID 107279116) has the molecular formula C13H18BrN3 and a molecular weight of 296.21 g/mol. Its IUPAC name is 2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide
PubChem CID107279116
Molecular FormulaC13H18BrN3
Molecular Weight296.21 g/mol
Exact Mass295.07
IUPAC Name2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(N(C)C2CCCC2)cc1Br
InChIInChI=1S/C13H18BrN3/c1-17(9-4-2-3-5-9)10-6-7-11(13(15)16)12(14)8-10/h6-9H,2-5H2,1H3,(H3,15,16)
InChIKeyLASBBJPEIPMPFT-UHFFFAOYSA-N
XLogP3.11
TPSA53.11 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide 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

2-bromo-4-[(4,4-dimethylcyclohexyl)-methylamino]benzenecarboximidamide
CID 107279366
2-bromo-4-[cyclobutylmethyl(methyl)amino]benzenecarboximidamide
CID 107279277
2-[cyclopentyl(methyl)amino]benzenecarboximidamide
CID 43267235
2-bromo-4-[methyl-[(1-methylpiperidin-4-yl)methyl]amino]benzenecarboximidamide
CID 107279306
3-[cyclopentyl(methyl)amino]pyridazine-4-carboximidamide
CID 80513212
2-bromo-4-[2-(dimethylamino)ethyl-(2-methylpropyl)amino]benzenecarboximidamide
CID 107279228
2-amino-5-[cyclopentyl(methyl)amino]benzamide
CID 61307306
2-bromo-4-[(3-bromophenyl)methyl-methylamino]benzenecarboximidamide
CID 107279167
4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine
CID 43436341
2-bromo-4-[(2-chlorophenyl)methyl-methylamino]benzenecarboximidamide
CID 107279164
4-[cycloheptyl(methyl)amino]-2-methylbenzenecarbothioamide
CID 81277092
2-amino-5-[cycloheptyl(methyl)amino]benzamide
CID 61305211

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide?
The IUPAC name of 2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide (CID 107279116) is 2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide.
What is the SMILES notation for 2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide?
The canonical SMILES for 2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide is [H]/N=C(\N)c1ccc(N(C)C2CCCC2)cc1Br.
What is the InChIKey of 2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide?
The InChIKey is LASBBJPEIPMPFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3/c1-17(9-4-2-3-5-9)10-6-7-11(13(15)16)12(14)8-10/h6-9H,2-5H2,1H3,(H3,15,16).
What are the key properties of 2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide?
2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide has a molecular weight of 296.21 g/mol, XLogP of 3.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-[cyclopentyl(methyl)amino]benzenecarboximidamide is sourced from PubChem (CID 107279116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).