2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide

C13H25BrN2O — CID 107904686

IUPAC2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
SMILESCC(Br)C(=O)NCCCN(C)C1CCCCC1
InChIInChI=1S/C13H25BrN2O/c1-11(14)13(17)15-9-6-10-16(2)12-7-4-3-5-8-12/h11-12H,3-10H2,1-2H3,(H,15,17)
InChIKeyQALWWIIZOASYSL-UHFFFAOYSA-N
MW305.26 g/mol
LogP2.54
Rot. Bonds6

About 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide

2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide (PubChem CID 107904686) has the molecular formula C13H25BrN2O and a molecular weight of 305.26 g/mol. Its IUPAC name is 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide.

Molecular Properties

Compound Name2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
PubChem CID107904686
Molecular FormulaC13H25BrN2O
Molecular Weight305.26 g/mol
Exact Mass304.12
IUPAC Name2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
SMILESCC(Br)C(=O)NCCCN(C)C1CCCCC1
InChIInChI=1S/C13H25BrN2O/c1-11(14)13(17)15-9-6-10-16(2)12-7-4-3-5-8-12/h11-12H,3-10H2,1-2H3,(H,15,17)
InChIKeyQALWWIIZOASYSL-UHFFFAOYSA-N
XLogP2.54
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.26
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide
CID 55126074
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide
CID 112685751
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride
CID 120503009
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide
CID 114328325
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930
(2S)-2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-4-methylsulfanylbutanamide
CID 61165155
3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea
CID 110443807
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide
CID 65269336
4-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564397
2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60980682

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide?
The IUPAC name of 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide (CID 107904686) is 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide.
What is the SMILES notation for 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide?
The canonical SMILES for 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide is CC(Br)C(=O)NCCCN(C)C1CCCCC1.
What is the InChIKey of 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide?
The InChIKey is QALWWIIZOASYSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25BrN2O/c1-11(14)13(17)15-9-6-10-16(2)12-7-4-3-5-8-12/h11-12H,3-10H2,1-2H3,(H,15,17).
What are the key properties of 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide?
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide has a molecular weight of 305.26 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide is sourced from PubChem (CID 107904686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).