2-bromo-N-propylprop-2-en-1-amine

C6H12BrN — CID 60873947

IUPAC2-bromo-N-propylprop-2-en-1-amine
SMILESC=C(Br)CNCCC
InChIInChI=1S/C6H12BrN/c1-3-4-8-5-6(2)7/h8H,2-5H2,1H3
InChIKeyWKBSYLDTQLOISN-UHFFFAOYSA-N
MW178.07 g/mol
LogP1.89
Rot. Bonds4

About 2-bromo-N-propylprop-2-en-1-amine

2-bromo-N-propylprop-2-en-1-amine (PubChem CID 60873947) has the molecular formula C6H12BrN and a molecular weight of 178.07 g/mol. Its IUPAC name is 2-bromo-N-propylprop-2-en-1-amine.

Molecular Properties

Compound Name2-bromo-N-propylprop-2-en-1-amine
PubChem CID60873947
Molecular FormulaC6H12BrN
Molecular Weight178.07 g/mol
Exact Mass177.02
IUPAC Name2-bromo-N-propylprop-2-en-1-amine
SMILESC=C(Br)CNCCC
InChIInChI=1S/C6H12BrN/c1-3-4-8-5-6(2)7/h8H,2-5H2,1H3
InChIKeyWKBSYLDTQLOISN-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.07
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-(2-bromoprop-2-enyl)-N',N'-diethylethane-1,2-diamine
CID 60871843
N-(2-bromoprop-2-enyl)-N',N'-diethylpropane-1,3-diamine
CID 60872428
2-bromo-N-(3-methylsulfonylpropyl)prop-2-en-1-amine
CID 61019858
N-(2-bromoprop-2-enyl)-4,4,4-trifluorobutan-1-amine
CID 115518150
N-(2-bromoprop-2-enyl)hept-6-en-1-amine
CID 107007110
tert-butyl N-[2-(2-bromoprop-2-enylamino)ethyl]carbamate
CID 115614738
2-(2-bromoprop-2-enylamino)ethyl carbamate
CID 83211675
3-[2-(2-bromoprop-2-enylamino)ethylsulfanyl]propan-1-ol
CID 106310497
5-(2-bromoprop-2-enylamino)pentanamide
CID 106237541
2-(propylamino)acetamide
CID 15839438
methanol;propylaminomethanol;hydrate
CID 173447379
2-[2-hydroxyethyl-[2-(propylaminomethyl)prop-2-enyl]amino]ethanol
CID 103069561

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-propylprop-2-en-1-amine?
The IUPAC name of 2-bromo-N-propylprop-2-en-1-amine (CID 60873947) is 2-bromo-N-propylprop-2-en-1-amine.
What is the SMILES notation for 2-bromo-N-propylprop-2-en-1-amine?
The canonical SMILES for 2-bromo-N-propylprop-2-en-1-amine is C=C(Br)CNCCC.
What is the InChIKey of 2-bromo-N-propylprop-2-en-1-amine?
The InChIKey is WKBSYLDTQLOISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12BrN/c1-3-4-8-5-6(2)7/h8H,2-5H2,1H3.
What are the key properties of 2-bromo-N-propylprop-2-en-1-amine?
2-bromo-N-propylprop-2-en-1-amine has a molecular weight of 178.07 g/mol, XLogP of 1.89, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-propylprop-2-en-1-amine is sourced from PubChem (CID 60873947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).