4-bromo-1-N-cyclopentylbenzene-1,3-diamine

C11H15BrN2 — CID 82934286

IUPAC4-bromo-1-N-cyclopentylbenzene-1,3-diamine
SMILESNc1cc(NC2CCCC2)ccc1Br
InChIInChI=1S/C11H15BrN2/c12-10-6-5-9(7-11(10)13)14-8-3-1-2-4-8/h5-8,14H,1-4,13H2
InChIKeyWGELZNOTVPADPC-UHFFFAOYSA-N
MW255.16 g/mol
LogP3.39
Rot. Bonds2

About 4-bromo-1-N-cyclopentylbenzene-1,3-diamine

4-bromo-1-N-cyclopentylbenzene-1,3-diamine (PubChem CID 82934286) has the molecular formula C11H15BrN2 and a molecular weight of 255.16 g/mol. Its IUPAC name is 4-bromo-1-N-cyclopentylbenzene-1,3-diamine.

Molecular Properties

Compound Name4-bromo-1-N-cyclopentylbenzene-1,3-diamine
PubChem CID82934286
Molecular FormulaC11H15BrN2
Molecular Weight255.16 g/mol
Exact Mass254.04
IUPAC Name4-bromo-1-N-cyclopentylbenzene-1,3-diamine
SMILESNc1cc(NC2CCCC2)ccc1Br
InChIInChI=1S/C11H15BrN2/c12-10-6-5-9(7-11(10)13)14-8-3-1-2-4-8/h5-8,14H,1-4,13H2
InChIKeyWGELZNOTVPADPC-UHFFFAOYSA-N
XLogP3.39
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-bromo-1-N-cyclopentylbenzene-1,3-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

4-N-cyclopentyl-2-methylbenzene-1,4-diamine
CID 43436194
4-N-cyclohexyl-2-methylbenzene-1,4-diamine
CID 43436188
1-N-cyclopentyl-4-fluorobenzene-1,3-diamine
CID 82933776
1-N-cyclopentyl-4-ethylbenzene-1,3-diamine
CID 70292757
N-(4-bromo-3-methoxyphenyl)cycloheptanamine
CID 82858294
2-amino-5-(cyclooctylamino)benzoic acid
CID 60989029
4-bromo-N-cyclohexyl-3-nitroaniline
CID 79767525
3-bromo-N-cyclopentyl-4-methoxyaniline
CID 63999867
4-bromo-N-cyclopropyl-3-fluoroaniline
CID 103439274
4-N-cyclooctyl-2-methoxybenzene-1,4-diamine
CID 63672291
methyl 2-amino-5-(cycloheptylamino)benzoate
CID 61305877
2-bromo-N-cyclopentylpyridin-4-amine
CID 131003214

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-N-cyclopentylbenzene-1,3-diamine?
The IUPAC name of 4-bromo-1-N-cyclopentylbenzene-1,3-diamine (CID 82934286) is 4-bromo-1-N-cyclopentylbenzene-1,3-diamine.
What is the SMILES notation for 4-bromo-1-N-cyclopentylbenzene-1,3-diamine?
The canonical SMILES for 4-bromo-1-N-cyclopentylbenzene-1,3-diamine is Nc1cc(NC2CCCC2)ccc1Br.
What is the InChIKey of 4-bromo-1-N-cyclopentylbenzene-1,3-diamine?
The InChIKey is WGELZNOTVPADPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2/c12-10-6-5-9(7-11(10)13)14-8-3-1-2-4-8/h5-8,14H,1-4,13H2.
What are the key properties of 4-bromo-1-N-cyclopentylbenzene-1,3-diamine?
4-bromo-1-N-cyclopentylbenzene-1,3-diamine has a molecular weight of 255.16 g/mol, XLogP of 3.39, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-N-cyclopentylbenzene-1,3-diamine is sourced from PubChem (CID 82934286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).