(Z)-2-(chloromethyl)-N-ethyl-N'-methylhex-2-ene-1,6-diimine

C10H17ClN2 — CID 129171164

IUPAC(Z)-2-(chloromethyl)-N-ethyl-N'-methylhex-2-ene-1,6-diimine
SMILESCC/N=C/C(=C/CC/C=N/C)CCl
InChIInChI=1S/C10H17ClN2/c1-3-13-9-10(8-11)6-4-5-7-12-2/h6-7,9H,3-5,8H2,1-2H3/b10-6+,12-7+,13-9+
InChIKeyUWDLCEHSGTVDRF-WZPAWBLDSA-N
MW200.71 g/mol
LogP2.72
Rot. Bonds6

About (Z)-2-(chloromethyl)-N-ethyl-N'-methylhex-2-ene-1,6-diimine

(Z)-2-(chloromethyl)-N-ethyl-N'-methylhex-2-ene-1,6-diimine (PubChem CID 129171164) has the molecular formula C10H17ClN2 and a molecular weight of 200.71 g/mol. Its IUPAC name is (Z)-2-(chloromethyl)-N-ethyl-N'-methylhex-2-ene-1,6-diimine.

Molecular Properties

Compound Name(Z)-2-(chloromethyl)-N-ethyl-N'-methylhex-2-ene-1,6-diimine
PubChem CID129171164
Molecular FormulaC10H17ClN2
Molecular Weight200.71 g/mol
Exact Mass200.11
IUPAC Name(Z)-2-(chloromethyl)-N-ethyl-N'-methylhex-2-ene-1,6-diimine
SMILESCC/N=C/C(=C/CC/C=N/C)CCl
InChIInChI=1S/C10H17ClN2/c1-3-13-9-10(8-11)6-4-5-7-12-2/h6-7,9H,3-5,8H2,1-2H3/b10-6+,12-7+,13-9+
InChIKeyUWDLCEHSGTVDRF-WZPAWBLDSA-N
XLogP2.72
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.71
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-(chloromethyl)-N-ethyl-N'-methylhex-2-ene-1,6-diimine?
The IUPAC name of (Z)-2-(chloromethyl)-N-ethyl-N'-methylhex-2-ene-1,6-diimine (CID 129171164) is (Z)-2-(chloromethyl)-N-ethyl-N'-methylhex-2-ene-1,6-diimine.
What is the SMILES notation for (Z)-2-(chloromethyl)-N-ethyl-N'-methylhex-2-ene-1,6-diimine?
The canonical SMILES for (Z)-2-(chloromethyl)-N-ethyl-N'-methylhex-2-ene-1,6-diimine is CC/N=C/C(=C/CC/C=N/C)CCl.
What is the InChIKey of (Z)-2-(chloromethyl)-N-ethyl-N'-methylhex-2-ene-1,6-diimine?
The InChIKey is UWDLCEHSGTVDRF-WZPAWBLDSA-N. The full InChI is InChI=1S/C10H17ClN2/c1-3-13-9-10(8-11)6-4-5-7-12-2/h6-7,9H,3-5,8H2,1-2H3/b10-6+,12-7+,13-9+.
What are the key properties of (Z)-2-(chloromethyl)-N-ethyl-N'-methylhex-2-ene-1,6-diimine?
(Z)-2-(chloromethyl)-N-ethyl-N'-methylhex-2-ene-1,6-diimine has a molecular weight of 200.71 g/mol, XLogP of 2.72, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(chloromethyl)-N-ethyl-N'-methylhex-2-ene-1,6-diimine is sourced from PubChem (CID 129171164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).