N-(2-bromoprop-2-enyl)-N',N'-diethylethane-1,2-diamine

C9H19BrN2 — CID 60871843

IUPACN-(2-bromoprop-2-enyl)-N',N'-diethylethane-1,2-diamine
SMILESC=C(Br)CNCCN(CC)CC
InChIInChI=1S/C9H19BrN2/c1-4-12(5-2)7-6-11-8-9(3)10/h11H,3-8H2,1-2H3
InChIKeyKHLPBGIKSZAERC-UHFFFAOYSA-N
MW235.17 g/mol
LogP1.83
Rot. Bonds7

About N-(2-bromoprop-2-enyl)-N',N'-diethylethane-1,2-diamine

N-(2-bromoprop-2-enyl)-N',N'-diethylethane-1,2-diamine (PubChem CID 60871843) has the molecular formula C9H19BrN2 and a molecular weight of 235.17 g/mol. Its IUPAC name is N-(2-bromoprop-2-enyl)-N',N'-diethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2-bromoprop-2-enyl)-N',N'-diethylethane-1,2-diamine
PubChem CID60871843
Molecular FormulaC9H19BrN2
Molecular Weight235.17 g/mol
Exact Mass234.07
IUPAC NameN-(2-bromoprop-2-enyl)-N',N'-diethylethane-1,2-diamine
SMILESC=C(Br)CNCCN(CC)CC
InChIInChI=1S/C9H19BrN2/c1-4-12(5-2)7-6-11-8-9(3)10/h11H,3-8H2,1-2H3
InChIKeyKHLPBGIKSZAERC-UHFFFAOYSA-N
XLogP1.83
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.17
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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'-diethylpropane-1,3-diamine
CID 60872428
N',N'-diethyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 60684295
2-bromo-N-propylprop-2-en-1-amine
CID 60873947
propane;N,N',N'-triethylethane-1,2-diamine
CID 157059256
N-(6-bromohexyl)-N',N'-diethylethane-1,2-diamine
CID 107914108
3-[2-(diethylamino)ethylamino]propanoic acid
CID 28830296
N'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 62635241
2-[2-[carboxymethyl-[2-[carboxymethyl(ethyl)amino]ethyl]amino]ethylamino]acetic acid
CID 89045001
2-[2-(diethylamino)ethylamino]-1-(4-methylpiperazin-1-yl)ethanone
CID 28580194
N',N'-diethyl-N-methylethane-1,2-diamine;ethane
CID 142004273
N'-ethyl-N'-methyl-N-(2-methylidenebutyl)ethane-1,2-diamine
CID 66046180
N-docosyl-N',N'-diethylethane-1,2-diamine
CID 154021468

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoprop-2-enyl)-N',N'-diethylethane-1,2-diamine?
The IUPAC name of N-(2-bromoprop-2-enyl)-N',N'-diethylethane-1,2-diamine (CID 60871843) is N-(2-bromoprop-2-enyl)-N',N'-diethylethane-1,2-diamine.
What is the SMILES notation for N-(2-bromoprop-2-enyl)-N',N'-diethylethane-1,2-diamine?
The canonical SMILES for N-(2-bromoprop-2-enyl)-N',N'-diethylethane-1,2-diamine is C=C(Br)CNCCN(CC)CC.
What is the InChIKey of N-(2-bromoprop-2-enyl)-N',N'-diethylethane-1,2-diamine?
The InChIKey is KHLPBGIKSZAERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19BrN2/c1-4-12(5-2)7-6-11-8-9(3)10/h11H,3-8H2,1-2H3.
What are the key properties of N-(2-bromoprop-2-enyl)-N',N'-diethylethane-1,2-diamine?
N-(2-bromoprop-2-enyl)-N',N'-diethylethane-1,2-diamine has a molecular weight of 235.17 g/mol, XLogP of 1.83, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoprop-2-enyl)-N',N'-diethylethane-1,2-diamine is sourced from PubChem (CID 60871843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).