N-(2-bromoprop-1-enyl)propan-1-imine

C6H10BrN — CID 123581220

IUPACN-(2-bromoprop-1-enyl)propan-1-imine
SMILESCC/C=N/C=C(C)Br
InChIInChI=1S/C6H10BrN/c1-3-4-8-5-6(2)7/h4-5H,3H2,1-2H3/b6-5?,8-4+
InChIKeyREQMZZNHYVVGNK-KEFBPMMISA-N
MW176.06 g/mol
LogP2.72
Rot. Bonds2

About N-(2-bromoprop-1-enyl)propan-1-imine

N-(2-bromoprop-1-enyl)propan-1-imine (PubChem CID 123581220) has the molecular formula C6H10BrN and a molecular weight of 176.06 g/mol. Its IUPAC name is N-(2-bromoprop-1-enyl)propan-1-imine.

Molecular Properties

Compound NameN-(2-bromoprop-1-enyl)propan-1-imine
PubChem CID123581220
Molecular FormulaC6H10BrN
Molecular Weight176.06 g/mol
Exact Mass175.00
IUPAC NameN-(2-bromoprop-1-enyl)propan-1-imine
SMILESCC/C=N/C=C(C)Br
InChIInChI=1S/C6H10BrN/c1-3-4-8-5-6(2)7/h4-5H,3H2,1-2H3/b6-5?,8-4+
InChIKeyREQMZZNHYVVGNK-KEFBPMMISA-N
XLogP2.72
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.06
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze N-(2-bromoprop-1-enyl)propan-1-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E)-2-bromo-N-methyl-N'-methylideneprop-2-ene-1,3-diimine
CID 89359111
N-(2-bromoprop-2-enyl)butan-1-imine
CID 91042262
N-[(1E)-2-bromobuta-1,3-dienyl]ethanimine
CID 117793528
(Z)-N-[(E)-1-bromoprop-1-enyl]propan-1-imine
CID 139319459
2-bromo-N-ethenylprop-2-en-1-imine;ethane
CID 142020405
(E)-2-bromo-N-ethyl-N'-methylideneprop-2-ene-1,3-diimine
CID 144521368
N-[(E)-2-bromoprop-1-enyl]propan-2-imine
CID 155417555
N-[(E)-1-bromoprop-1-enyl]propan-1-imine
CID 173813710
N-[(E)-1-bromoprop-1-enyl]butan-1-imine
CID 173911484
N-[(E)-3-bromoprop-1-enyl]propan-1-imine
CID 144407388
(Z)-N-[(E)-1-bromoprop-1-enyl]butan-1-imine
CID 155580336

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-1-enyl)propan-1-imine?
The IUPAC name of N-(2-bromoprop-1-enyl)propan-1-imine (CID 123581220) is N-(2-bromoprop-1-enyl)propan-1-imine.
What is the SMILES notation for N-(2-bromoprop-1-enyl)propan-1-imine?
The canonical SMILES for N-(2-bromoprop-1-enyl)propan-1-imine is CC/C=N/C=C(C)Br.
What is the InChIKey of N-(2-bromoprop-1-enyl)propan-1-imine?
The InChIKey is REQMZZNHYVVGNK-KEFBPMMISA-N. The full InChI is InChI=1S/C6H10BrN/c1-3-4-8-5-6(2)7/h4-5H,3H2,1-2H3/b6-5?,8-4+.
What are the key properties of N-(2-bromoprop-1-enyl)propan-1-imine?
N-(2-bromoprop-1-enyl)propan-1-imine has a molecular weight of 176.06 g/mol, XLogP of 2.72, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-1-enyl)propan-1-imine is sourced from PubChem (CID 123581220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).