N'-benzyl-N'-[(Z)-2,3-dichloroprop-2-enyl]ethane-1,2-diamine

C12H16Cl2N2 — CID 106511612

IUPACN'-benzyl-N'-[(Z)-2,3-dichloroprop-2-enyl]ethane-1,2-diamine
SMILESNCCN(C/C(Cl)=C/Cl)Cc1ccccc1
InChIInChI=1S/C12H16Cl2N2/c13-8-12(14)10-16(7-6-15)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10,15H2/b12-8-
InChIKeyPSBVIYYRNUDHAU-WQLSENKSSA-N
MW259.18 g/mol
LogP2.77
Rot. Bonds6

About N'-benzyl-N'-[(Z)-2,3-dichloroprop-2-enyl]ethane-1,2-diamine

N'-benzyl-N'-[(Z)-2,3-dichloroprop-2-enyl]ethane-1,2-diamine (PubChem CID 106511612) has the molecular formula C12H16Cl2N2 and a molecular weight of 259.18 g/mol. Its IUPAC name is N'-benzyl-N'-[(Z)-2,3-dichloroprop-2-enyl]ethane-1,2-diamine.

Molecular Properties

Compound NameN'-benzyl-N'-[(Z)-2,3-dichloroprop-2-enyl]ethane-1,2-diamine
PubChem CID106511612
Molecular FormulaC12H16Cl2N2
Molecular Weight259.18 g/mol
Exact Mass258.07
IUPAC NameN'-benzyl-N'-[(Z)-2,3-dichloroprop-2-enyl]ethane-1,2-diamine
SMILESNCCN(C/C(Cl)=C/Cl)Cc1ccccc1
InChIInChI=1S/C12H16Cl2N2/c13-8-12(14)10-16(7-6-15)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10,15H2/b12-8-
InChIKeyPSBVIYYRNUDHAU-WQLSENKSSA-N
XLogP2.77
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.18
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N'-benzyl-N'-[(Z)-2,3-dichloroprop-2-enyl]ethane-1,2-diamine?
The IUPAC name of N'-benzyl-N'-[(Z)-2,3-dichloroprop-2-enyl]ethane-1,2-diamine (CID 106511612) is N'-benzyl-N'-[(Z)-2,3-dichloroprop-2-enyl]ethane-1,2-diamine.
What is the SMILES notation for N'-benzyl-N'-[(Z)-2,3-dichloroprop-2-enyl]ethane-1,2-diamine?
The canonical SMILES for N'-benzyl-N'-[(Z)-2,3-dichloroprop-2-enyl]ethane-1,2-diamine is NCCN(C/C(Cl)=C/Cl)Cc1ccccc1.
What is the InChIKey of N'-benzyl-N'-[(Z)-2,3-dichloroprop-2-enyl]ethane-1,2-diamine?
The InChIKey is PSBVIYYRNUDHAU-WQLSENKSSA-N. The full InChI is InChI=1S/C12H16Cl2N2/c13-8-12(14)10-16(7-6-15)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10,15H2/b12-8-.
What are the key properties of N'-benzyl-N'-[(Z)-2,3-dichloroprop-2-enyl]ethane-1,2-diamine?
N'-benzyl-N'-[(Z)-2,3-dichloroprop-2-enyl]ethane-1,2-diamine has a molecular weight of 259.18 g/mol, XLogP of 2.77, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-benzyl-N'-[(Z)-2,3-dichloroprop-2-enyl]ethane-1,2-diamine is sourced from PubChem (CID 106511612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).