(Z)-2,3-dichloro-N-ethylprop-2-en-1-amine

C5H9Cl2N — CID 131438238

IUPAC(Z)-2,3-dichloro-N-ethylprop-2-en-1-amine
SMILESCCNC/C(Cl)=C/Cl
InChIInChI=1S/C5H9Cl2N/c1-2-8-4-5(7)3-6/h3,8H,2,4H2,1H3/b5-3-
InChIKeyGXWSQWYUMFBAMA-HYXAFXHYSA-N
MW154.04 g/mol
LogP1.91
Rot. Bonds3

About (Z)-2,3-dichloro-N-ethylprop-2-en-1-amine

(Z)-2,3-dichloro-N-ethylprop-2-en-1-amine (PubChem CID 131438238) has the molecular formula C5H9Cl2N and a molecular weight of 154.04 g/mol. Its IUPAC name is (Z)-2,3-dichloro-N-ethylprop-2-en-1-amine.

Molecular Properties

Compound Name(Z)-2,3-dichloro-N-ethylprop-2-en-1-amine
PubChem CID131438238
Molecular FormulaC5H9Cl2N
Molecular Weight154.04 g/mol
Exact Mass153.01
IUPAC Name(Z)-2,3-dichloro-N-ethylprop-2-en-1-amine
SMILESCCNC/C(Cl)=C/Cl
InChIInChI=1S/C5H9Cl2N/c1-2-8-4-5(7)3-6/h3,8H,2,4H2,1H3/b5-3-
InChIKeyGXWSQWYUMFBAMA-HYXAFXHYSA-N
XLogP1.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.04
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-2,3-dichloro-N-ethylprop-2-en-1-amine?
The IUPAC name of (Z)-2,3-dichloro-N-ethylprop-2-en-1-amine (CID 131438238) is (Z)-2,3-dichloro-N-ethylprop-2-en-1-amine.
What is the SMILES notation for (Z)-2,3-dichloro-N-ethylprop-2-en-1-amine?
The canonical SMILES for (Z)-2,3-dichloro-N-ethylprop-2-en-1-amine is CCNC/C(Cl)=C/Cl.
What is the InChIKey of (Z)-2,3-dichloro-N-ethylprop-2-en-1-amine?
The InChIKey is GXWSQWYUMFBAMA-HYXAFXHYSA-N. The full InChI is InChI=1S/C5H9Cl2N/c1-2-8-4-5(7)3-6/h3,8H,2,4H2,1H3/b5-3-.
What are the key properties of (Z)-2,3-dichloro-N-ethylprop-2-en-1-amine?
(Z)-2,3-dichloro-N-ethylprop-2-en-1-amine has a molecular weight of 154.04 g/mol, XLogP of 1.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2,3-dichloro-N-ethylprop-2-en-1-amine is sourced from PubChem (CID 131438238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).