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

C14H27BrN2O — CID 55126074

IUPAC2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide
SMILESCCC(Br)C(=O)NCCCN(C)C1CCCCC1
InChIInChI=1S/C14H27BrN2O/c1-3-13(15)14(18)16-10-7-11-17(2)12-8-5-4-6-9-12/h12-13H,3-11H2,1-2H3,(H,16,18)
InChIKeyFIQQPRGZPADMII-UHFFFAOYSA-N
MW319.29 g/mol
LogP2.93
Rot. Bonds7

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

2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide (PubChem CID 55126074) has the molecular formula C14H27BrN2O and a molecular weight of 319.29 g/mol. Its IUPAC name is 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide
PubChem CID55126074
Molecular FormulaC14H27BrN2O
Molecular Weight319.29 g/mol
Exact Mass318.13
IUPAC Name2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide
SMILESCCC(Br)C(=O)NCCCN(C)C1CCCCC1
InChIInChI=1S/C14H27BrN2O/c1-3-13(15)14(18)16-10-7-11-17(2)12-8-5-4-6-9-12/h12-13H,3-11H2,1-2H3,(H,16,18)
InChIKeyFIQQPRGZPADMII-UHFFFAOYSA-N
XLogP2.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.29
LogP ≤ 52.93
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]propanamide
CID 107904686
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide
CID 112685751
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride
CID 120503009
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide
CID 114328325
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930
N-[2-[cycloheptyl(methyl)amino]ethyl]-2-methylpropanamide
CID 59205256
(2S)-2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-4-methylsulfanylbutanamide
CID 61165155
2-amino-N-[2-[cyclopentyl(methyl)amino]ethyl]butanamide
CID 63316290
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

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide?
The IUPAC name of 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide (CID 55126074) is 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide.
What is the SMILES notation for 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide?
The canonical SMILES for 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide is CCC(Br)C(=O)NCCCN(C)C1CCCCC1.
What is the InChIKey of 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide?
The InChIKey is FIQQPRGZPADMII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrN2O/c1-3-13(15)14(18)16-10-7-11-17(2)12-8-5-4-6-9-12/h12-13H,3-11H2,1-2H3,(H,16,18).
What are the key properties of 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide?
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide has a molecular weight of 319.29 g/mol, XLogP of 2.93, 7 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]butanamide is sourced from PubChem (CID 55126074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).