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

C14H27BrN2O — CID 114328325

IUPAC2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide
SMILESCN(CCCNC(=O)C(C)(C)Br)C1CCCCC1
InChIInChI=1S/C14H27BrN2O/c1-14(2,15)13(18)16-10-7-11-17(3)12-8-5-4-6-9-12/h12H,4-11H2,1-3H3,(H,16,18)
InChIKeyIUDGBQOAHYYLRE-UHFFFAOYSA-N
MW319.29 g/mol
LogP2.93
Rot. Bonds6

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

2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide (PubChem CID 114328325) 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]-2-methylpropanamide.

Molecular Properties

Compound Name2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide
PubChem CID114328325
Molecular FormulaC14H27BrN2O
Molecular Weight319.29 g/mol
Exact Mass318.13
IUPAC Name2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide
SMILESCN(CCCNC(=O)C(C)(C)Br)C1CCCCC1
InChIInChI=1S/C14H27BrN2O/c1-14(2,15)13(18)16-10-7-11-17(3)12-8-5-4-6-9-12/h12H,4-11H2,1-3H3,(H,16,18)
InChIKeyIUDGBQOAHYYLRE-UHFFFAOYSA-N
XLogP2.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
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

3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2,2,3-trimethylbutanamide
CID 65269336
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 107904686
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]butanamide
CID 55126074
3-[3-[cyclohexyl(methyl)amino]propylamino]-3-oxopropanoic acid
CID 62230930
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
N-[3-[cyclohexyl(methyl)amino]propyl]-2-methoxypropanamide
CID 112685751
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide
CID 60981646
3-[5-[cyclohexyl(methyl)amino]pentyl]-1,1-dimethylurea
CID 110443807
3-[3-[cyclohexyl(methyl)amino]propylamino]-2-hydroxy-2-methylpropanoic acid
CID 104644040
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylbutanamide;dihydrochloride
CID 120503009
2-[3-[cyclohexyl(methyl)amino]propylcarbamoyl]cyclopropane-1-carboxylic acid
CID 60980682
6-amino-N-[3-[cyclohexyl(methyl)amino]propyl]hexanamide
CID 60981769

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide?
The IUPAC name of 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide (CID 114328325) is 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide.
What is the SMILES notation for 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide?
The canonical SMILES for 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide is CN(CCCNC(=O)C(C)(C)Br)C1CCCCC1.
What is the InChIKey of 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide?
The InChIKey is IUDGBQOAHYYLRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27BrN2O/c1-14(2,15)13(18)16-10-7-11-17(3)12-8-5-4-6-9-12/h12H,4-11H2,1-3H3,(H,16,18).
What are the key properties of 2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide?
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-2-methylpropanamide has a molecular weight of 319.29 g/mol, XLogP of 2.93, 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]-2-methylpropanamide is sourced from PubChem (CID 114328325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).