N-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine

C8H16Cl2N2 — CID 79168321

IUPACN-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNCC(Cl)=CCl
InChIInChI=1S/C8H16Cl2N2/c1-3-12(2)5-4-11-7-8(10)6-9/h6,11H,3-5,7H2,1-2H3
InChIKeyRUOKJZMLFCCAIZ-UHFFFAOYSA-N
MW211.14 g/mol
LogP1.85
Rot. Bonds6

About N-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine

N-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine (PubChem CID 79168321) has the molecular formula C8H16Cl2N2 and a molecular weight of 211.14 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine
PubChem CID79168321
Molecular FormulaC8H16Cl2N2
Molecular Weight211.14 g/mol
Exact Mass210.07
IUPAC NameN-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine
SMILESCCN(C)CCNCC(Cl)=CCl
InChIInChI=1S/C8H16Cl2N2/c1-3-12(2)5-4-11-7-8(10)6-9/h6,11H,3-5,7H2,1-2H3
InChIKeyRUOKJZMLFCCAIZ-UHFFFAOYSA-N
XLogP1.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.14
LogP ≤ 51.85
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'-ethyl-N'-methyl-N-(2-methylprop-2-enyl)ethane-1,2-diamine
CID 62635241
(Z)-2,3-dichloro-N-ethylprop-2-en-1-amine
CID 131438238
N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide
CID 79168502
2-[2-[ethyl(methyl)amino]ethylamino]-N,N-dimethylacetamide
CID 62640483
N'-ethyl-N'-methyl-N-(2-methylidenebutyl)ethane-1,2-diamine
CID 66046180
N-(2,3-dichloroprop-2-enyl)-N'-methyl-N'-propan-2-ylbutane-1,4-diamine
CID 79167644
3-[2-(2,3-dichloroprop-2-enylamino)ethyl]-1,1-dimethylurea
CID 83120350
2,3-dichloro-N-(3-methoxypropyl)prop-2-en-1-amine
CID 79167154
2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine
CID 104864624
N-butyl-2-[2-[2-[ethyl(methyl)amino]ethyl-methylamino]ethylamino]acetamide
CID 87733157
ethane;N'-ethyl-N,N'-dimethylethane-1,2-diamine;methanol
CID 144534922
N'-ethyl-N-heptyl-N'-methylethane-1,2-diamine
CID 62635532

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine (CID 79168321) is N-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine is CCN(C)CCNCC(Cl)=CCl.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine?
The InChIKey is RUOKJZMLFCCAIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16Cl2N2/c1-3-12(2)5-4-11-7-8(10)6-9/h6,11H,3-5,7H2,1-2H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine?
N-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine has a molecular weight of 211.14 g/mol, XLogP of 1.85, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine is sourced from PubChem (CID 79168321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).