2-bromo-N-(3-iminopentyl)acetamide

C7H13BrN2O — CID 123196370

IUPAC2-bromo-N-(3-iminopentyl)acetamide
SMILES[H]/N=C(\CC)CCNC(=O)CBr
InChIInChI=1S/C7H13BrN2O/c1-2-6(9)3-4-10-7(11)5-8/h9H,2-5H2,1H3,(H,10,11)/b9-6+
InChIKeyFYDJCDDMZBEZBH-RMKNXTFCSA-N
MW221.10 g/mol
LogP1.32
Rot. Bonds5

About 2-bromo-N-(3-iminopentyl)acetamide

2-bromo-N-(3-iminopentyl)acetamide (PubChem CID 123196370) has the molecular formula C7H13BrN2O and a molecular weight of 221.10 g/mol. Its IUPAC name is 2-bromo-N-(3-iminopentyl)acetamide.

Molecular Properties

Compound Name2-bromo-N-(3-iminopentyl)acetamide
PubChem CID123196370
Molecular FormulaC7H13BrN2O
Molecular Weight221.10 g/mol
Exact Mass220.02
IUPAC Name2-bromo-N-(3-iminopentyl)acetamide
SMILES[H]/N=C(\CC)CCNC(=O)CBr
InChIInChI=1S/C7H13BrN2O/c1-2-6(9)3-4-10-7(11)5-8/h9H,2-5H2,1H3,(H,10,11)/b9-6+
InChIKeyFYDJCDDMZBEZBH-RMKNXTFCSA-N
XLogP1.32
TPSA52.95 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.10
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N-(3-oxobutyl)acetamide
CID 58311881
hexan-3-imine
CID 44512023
5-iminoheptanamide
CID 123928104
ethyl N-(2-iminobutyl)carbamate
CID 174657995
2-bromo-N-[2-[2-[2-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethyl]acetamide
CID 90995903
2-[(2-bromoacetyl)amino]-N-butylacetamide
CID 82110073
ethyl 3-iminohexanoate
CID 21426807
N-[2-[(2-bromoacetyl)amino]ethyl]-2-(2-ethoxyethoxy)acetamide
CID 90261180
N-(2-bromoethyl)pentanamide
CID 43133425
2-[(2-bromoacetyl)amino]ethyl 3-ethoxypropanoate
CID 175461196
2-bromo-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 106335462
3-bromo-N-propylpropanamide
CID 12680973

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-iminopentyl)acetamide?
The IUPAC name of 2-bromo-N-(3-iminopentyl)acetamide (CID 123196370) is 2-bromo-N-(3-iminopentyl)acetamide.
What is the SMILES notation for 2-bromo-N-(3-iminopentyl)acetamide?
The canonical SMILES for 2-bromo-N-(3-iminopentyl)acetamide is [H]/N=C(\CC)CCNC(=O)CBr.
What is the InChIKey of 2-bromo-N-(3-iminopentyl)acetamide?
The InChIKey is FYDJCDDMZBEZBH-RMKNXTFCSA-N. The full InChI is InChI=1S/C7H13BrN2O/c1-2-6(9)3-4-10-7(11)5-8/h9H,2-5H2,1H3,(H,10,11)/b9-6+.
What are the key properties of 2-bromo-N-(3-iminopentyl)acetamide?
2-bromo-N-(3-iminopentyl)acetamide has a molecular weight of 221.10 g/mol, XLogP of 1.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-iminopentyl)acetamide is sourced from PubChem (CID 123196370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).