(Z)-N'-chloro-N,N'-dimethylethene-1,2-diamine

C4H9ClN2 — CID 170081505

IUPAC(Z)-N'-chloro-N,N'-dimethylethene-1,2-diamine
SMILESCN/C=C\N(C)Cl
InChIInChI=1S/C4H9ClN2/c1-6-3-4-7(2)5/h3-4,6H,1-2H3/b4-3-
InChIKeySMSITODAXDJVJO-ARJAWSKDSA-N
MW120.58 g/mol
LogP0.76
Rot. Bonds2

About (Z)-N'-chloro-N,N'-dimethylethene-1,2-diamine

(Z)-N'-chloro-N,N'-dimethylethene-1,2-diamine (PubChem CID 170081505) has the molecular formula C4H9ClN2 and a molecular weight of 120.58 g/mol. Its IUPAC name is (Z)-N'-chloro-N,N'-dimethylethene-1,2-diamine.

Molecular Properties

Compound Name(Z)-N'-chloro-N,N'-dimethylethene-1,2-diamine
PubChem CID170081505
Molecular FormulaC4H9ClN2
Molecular Weight120.58 g/mol
Exact Mass120.05
IUPAC Name(Z)-N'-chloro-N,N'-dimethylethene-1,2-diamine
SMILESCN/C=C\N(C)Cl
InChIInChI=1S/C4H9ClN2/c1-6-3-4-7(2)5/h3-4,6H,1-2H3/b4-3-
InChIKeySMSITODAXDJVJO-ARJAWSKDSA-N
XLogP0.76
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.58
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-N'-chloro-N,N'-dimethylethene-1,2-diamine?
The IUPAC name of (Z)-N'-chloro-N,N'-dimethylethene-1,2-diamine (CID 170081505) is (Z)-N'-chloro-N,N'-dimethylethene-1,2-diamine.
What is the SMILES notation for (Z)-N'-chloro-N,N'-dimethylethene-1,2-diamine?
The canonical SMILES for (Z)-N'-chloro-N,N'-dimethylethene-1,2-diamine is CN/C=C\N(C)Cl.
What is the InChIKey of (Z)-N'-chloro-N,N'-dimethylethene-1,2-diamine?
The InChIKey is SMSITODAXDJVJO-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H9ClN2/c1-6-3-4-7(2)5/h3-4,6H,1-2H3/b4-3-.
What are the key properties of (Z)-N'-chloro-N,N'-dimethylethene-1,2-diamine?
(Z)-N'-chloro-N,N'-dimethylethene-1,2-diamine has a molecular weight of 120.58 g/mol, XLogP of 0.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N'-chloro-N,N'-dimethylethene-1,2-diamine is sourced from PubChem (CID 170081505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).