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

C7H14Cl2N2 — CID 79167152

IUPACN-(2,3-dichloroprop-2-enyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCC(Cl)=CCl
InChIInChI=1S/C7H14Cl2N2/c1-11(2)4-3-10-6-7(9)5-8/h5,10H,3-4,6H2,1-2H3
InChIKeyKXFRSRZYXHHQPK-UHFFFAOYSA-N
MW197.11 g/mol
LogP1.46
Rot. Bonds5

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

N-(2,3-dichloroprop-2-enyl)-N',N'-dimethylethane-1,2-diamine (PubChem CID 79167152) has the molecular formula C7H14Cl2N2 and a molecular weight of 197.11 g/mol. Its IUPAC name is N-(2,3-dichloroprop-2-enyl)-N',N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN-(2,3-dichloroprop-2-enyl)-N',N'-dimethylethane-1,2-diamine
PubChem CID79167152
Molecular FormulaC7H14Cl2N2
Molecular Weight197.11 g/mol
Exact Mass196.05
IUPAC NameN-(2,3-dichloroprop-2-enyl)-N',N'-dimethylethane-1,2-diamine
SMILESCN(C)CCNCC(Cl)=CCl
InChIInChI=1S/C7H14Cl2N2/c1-11(2)4-3-10-6-7(9)5-8/h5,10H,3-4,6H2,1-2H3
InChIKeyKXFRSRZYXHHQPK-UHFFFAOYSA-N
XLogP1.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.11
LogP ≤ 51.46
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-(2,3-dichloroprop-2-enyl)-N'-ethyl-N'-methylethane-1,2-diamine
CID 79168321
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
N-(3-chloro-2-methylprop-2-enyl)-N',N'-dimethylpropane-1,3-diamine
CID 106437388
2,3-dichloro-N-(2-methylsulfinylethyl)prop-2-en-1-amine
CID 104864624
N-[3-(2,3-dichloroprop-2-enylamino)propyl]-N-ethylmethanesulfonamide
CID 79168502
4-(2,3-dichloroprop-2-enylamino)-1-methoxybutan-2-ol
CID 106246561
N-[(3-chlorocyclobutyl)methyl]-N',N'-dimethylethane-1,2-diamine
CID 66005005
(E)-N-(2-but-3-enoxyethyl)-2,3-dichloroprop-2-en-1-amine
CID 106401566
N-[2-(dimethylamino)ethyl]carbamoyl chloride
CID 87387045
N-but-2-ynyl-N',N'-dimethylethane-1,2-diamine
CID 62311533

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dichloroprop-2-enyl)-N',N'-dimethylethane-1,2-diamine?
The IUPAC name of N-(2,3-dichloroprop-2-enyl)-N',N'-dimethylethane-1,2-diamine (CID 79167152) is N-(2,3-dichloroprop-2-enyl)-N',N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N-(2,3-dichloroprop-2-enyl)-N',N'-dimethylethane-1,2-diamine?
The canonical SMILES for N-(2,3-dichloroprop-2-enyl)-N',N'-dimethylethane-1,2-diamine is CN(C)CCNCC(Cl)=CCl.
What is the InChIKey of N-(2,3-dichloroprop-2-enyl)-N',N'-dimethylethane-1,2-diamine?
The InChIKey is KXFRSRZYXHHQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14Cl2N2/c1-11(2)4-3-10-6-7(9)5-8/h5,10H,3-4,6H2,1-2H3.
What are the key properties of N-(2,3-dichloroprop-2-enyl)-N',N'-dimethylethane-1,2-diamine?
N-(2,3-dichloroprop-2-enyl)-N',N'-dimethylethane-1,2-diamine has a molecular weight of 197.11 g/mol, XLogP of 1.46, 5 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',N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 79167152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).