N-(4-aminocyclohexyl)-5-bromopentanamide

C11H21BrN2O — CID 107909975

IUPACN-(4-aminocyclohexyl)-5-bromopentanamide
SMILESNC1CCC(NC(=O)CCCCBr)CC1
InChIInChI=1S/C11H21BrN2O/c12-8-2-1-3-11(15)14-10-6-4-9(13)5-7-10/h9-10H,1-8,13H2,(H,14,15)
InChIKeyBSXJXYIWHJOBMQ-UHFFFAOYSA-N
MW277.21 g/mol
LogP1.94
Rot. Bonds5

About N-(4-aminocyclohexyl)-5-bromopentanamide

N-(4-aminocyclohexyl)-5-bromopentanamide (PubChem CID 107909975) has the molecular formula C11H21BrN2O and a molecular weight of 277.21 g/mol. Its IUPAC name is N-(4-aminocyclohexyl)-5-bromopentanamide.

Molecular Properties

Compound NameN-(4-aminocyclohexyl)-5-bromopentanamide
PubChem CID107909975
Molecular FormulaC11H21BrN2O
Molecular Weight277.21 g/mol
Exact Mass276.08
IUPAC NameN-(4-aminocyclohexyl)-5-bromopentanamide
SMILESNC1CCC(NC(=O)CCCCBr)CC1
InChIInChI=1S/C11H21BrN2O/c12-8-2-1-3-11(15)14-10-6-4-9(13)5-7-10/h9-10H,1-8,13H2,(H,14,15)
InChIKeyBSXJXYIWHJOBMQ-UHFFFAOYSA-N
XLogP1.94
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.21
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(4-aminocyclohexyl)-5-bromopentanamide 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-(5-bromopentanoylamino)cyclohexane-1-carboxamide
CID 107908592
N,N'-dicyclopropyldecanediamide
CID 4668836
5-bromo-N-[4-(trifluoromethyl)cyclohexyl]pentanamide
CID 114014776
N-(4-aminocyclohexyl)hex-5-enamide
CID 119478568
5-bromo-N-(3-hydroxycyclobutyl)pentanamide
CID 107910240
N-(4-aminocyclohexyl)-3-(methylamino)propanamide
CID 62319076
N-(4-aminocyclohexyl)-5-[(2S,4R)-4-(carbamoylamino)thiolan-2-yl]pentanamide
CID 129253107
N-(4-aminocyclohexyl)-3-cyclopentylpropanamide;hydrochloride
CID 119260252
5-bromo-N-(8,8-dioxo-8λ6-thiabicyclo[3.2.1]octan-3-yl)pentanamide
CID 165458218
N,N'-dicyclopropylbutanediamide
CID 5225156
3-(4-aminocyclohexyl)-N-(4-hydroxycyclohexyl)propanamide
CID 62776158
4-chloro-N-cyclopropylbutanamide
CID 5152347

Frequently Asked Questions

What is the IUPAC name of N-(4-aminocyclohexyl)-5-bromopentanamide?
The IUPAC name of N-(4-aminocyclohexyl)-5-bromopentanamide (CID 107909975) is N-(4-aminocyclohexyl)-5-bromopentanamide.
What is the SMILES notation for N-(4-aminocyclohexyl)-5-bromopentanamide?
The canonical SMILES for N-(4-aminocyclohexyl)-5-bromopentanamide is NC1CCC(NC(=O)CCCCBr)CC1.
What is the InChIKey of N-(4-aminocyclohexyl)-5-bromopentanamide?
The InChIKey is BSXJXYIWHJOBMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21BrN2O/c12-8-2-1-3-11(15)14-10-6-4-9(13)5-7-10/h9-10H,1-8,13H2,(H,14,15).
What are the key properties of N-(4-aminocyclohexyl)-5-bromopentanamide?
N-(4-aminocyclohexyl)-5-bromopentanamide has a molecular weight of 277.21 g/mol, XLogP of 1.94, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminocyclohexyl)-5-bromopentanamide is sourced from PubChem (CID 107909975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).