5-(2-bromoprop-2-enylamino)pentanamide

C8H15BrN2O — CID 106237541

IUPAC5-(2-bromoprop-2-enylamino)pentanamide
SMILESC=C(Br)CNCCCCC(N)=O
InChIInChI=1S/C8H15BrN2O/c1-7(9)6-11-5-3-2-4-8(10)12/h11H,1-6H2,(H2,10,12)
InChIKeyWGLHMFVTGHTYLR-UHFFFAOYSA-N
MW235.12 g/mol
LogP1.14
Rot. Bonds7

About 5-(2-bromoprop-2-enylamino)pentanamide

5-(2-bromoprop-2-enylamino)pentanamide (PubChem CID 106237541) has the molecular formula C8H15BrN2O and a molecular weight of 235.12 g/mol. Its IUPAC name is 5-(2-bromoprop-2-enylamino)pentanamide.

Molecular Properties

Compound Name5-(2-bromoprop-2-enylamino)pentanamide
PubChem CID106237541
Molecular FormulaC8H15BrN2O
Molecular Weight235.12 g/mol
Exact Mass234.04
IUPAC Name5-(2-bromoprop-2-enylamino)pentanamide
SMILESC=C(Br)CNCCCCC(N)=O
InChIInChI=1S/C8H15BrN2O/c1-7(9)6-11-5-3-2-4-8(10)12/h11H,1-6H2,(H2,10,12)
InChIKeyWGLHMFVTGHTYLR-UHFFFAOYSA-N
XLogP1.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(2-bromoprop-2-enylamino)ethyl carbamate
CID 83211675
N-(2-bromoprop-2-enyl)hept-6-en-1-amine
CID 107007110
6-(decylamino)hexanamide
CID 13292350
12-(hexylamino)dodecanamide
CID 174861179
2-bromo-N-(3-methylsulfonylpropyl)prop-2-en-1-amine
CID 61019858
3-(hept-6-enylamino)propanamide
CID 107006585
N-(2-bromoprop-2-enyl)-4,4,4-trifluorobutan-1-amine
CID 115518150
5-(2-propoxyethylamino)pentanamide
CID 106237519
2-bromo-N-propylprop-2-en-1-amine
CID 60873947
6-(hydroxyamino)hexanamide
CID 167194445
7-hydrazinylheptanamide
CID 22099097
12-hydrazinyldodecanamide;methanimine
CID 177324846

Frequently Asked Questions

What is the IUPAC name of 5-(2-bromoprop-2-enylamino)pentanamide?
The IUPAC name of 5-(2-bromoprop-2-enylamino)pentanamide (CID 106237541) is 5-(2-bromoprop-2-enylamino)pentanamide.
What is the SMILES notation for 5-(2-bromoprop-2-enylamino)pentanamide?
The canonical SMILES for 5-(2-bromoprop-2-enylamino)pentanamide is C=C(Br)CNCCCCC(N)=O.
What is the InChIKey of 5-(2-bromoprop-2-enylamino)pentanamide?
The InChIKey is WGLHMFVTGHTYLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15BrN2O/c1-7(9)6-11-5-3-2-4-8(10)12/h11H,1-6H2,(H2,10,12).
What are the key properties of 5-(2-bromoprop-2-enylamino)pentanamide?
5-(2-bromoprop-2-enylamino)pentanamide has a molecular weight of 235.12 g/mol, XLogP of 1.14, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-bromoprop-2-enylamino)pentanamide is sourced from PubChem (CID 106237541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).