(Z)-2-chloro-N-methylhex-4-en-3-imine;ethane

C11H24ClN — CID 145092422

IUPAC(Z)-2-chloro-N-methylhex-4-en-3-imine;ethane
SMILESC/C=C\C(=N\C)C(C)Cl.CC.CC
InChIInChI=1S/C7H12ClN.2C2H6/c1-4-5-7(9-3)6(2)8;2*1-2/h4-6H,1-3H3;2*1-2H3/b5-4-,9-7-;;
InChIKeyWFUJRNVDERHTOF-MELCAWGKSA-N
MW205.77 g/mol
LogP4.31
Rot. Bonds2

About (Z)-2-chloro-N-methylhex-4-en-3-imine;ethane

(Z)-2-chloro-N-methylhex-4-en-3-imine;ethane (PubChem CID 145092422) has the molecular formula C11H24ClN and a molecular weight of 205.77 g/mol. Its IUPAC name is (Z)-2-chloro-N-methylhex-4-en-3-imine;ethane.

Molecular Properties

Compound Name(Z)-2-chloro-N-methylhex-4-en-3-imine;ethane
PubChem CID145092422
Molecular FormulaC11H24ClN
Molecular Weight205.77 g/mol
Exact Mass205.16
IUPAC Name(Z)-2-chloro-N-methylhex-4-en-3-imine;ethane
SMILESC/C=C\C(=N\C)C(C)Cl.CC.CC
InChIInChI=1S/C7H12ClN.2C2H6/c1-4-5-7(9-3)6(2)8;2*1-2/h4-6H,1-3H3;2*1-2H3/b5-4-,9-7-;;
InChIKeyWFUJRNVDERHTOF-MELCAWGKSA-N
XLogP4.31
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.77
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-6-chlorocyclohexa-2,4-dien-1-imine
CID 70258379
(3E)-N-(2-chloropropyl)-4-methylhepta-3,6-dien-2-imine
CID 123291843
(2E,5Z)-2-chloro-N-methylhepta-2,5-dien-4-imine
CID 123642296
N-(3-chloropent-3-enyl)pent-3-en-2-imine
CID 123811258
3-Chloro-6-propan-2-yl-2,3-dihydropyridine
CID 123833761
(Z)-5-chloro-N-methylhex-3-en-2-imine
CID 123943225
ethane;(Z)-N-methylhex-4-en-3-imine
CID 141772032
(Z)-1-chloro-N-methylhex-3-en-2-imine
CID 143491776
(4E)-5-chloro-N-methylhepta-4,6-dien-3-imine
CID 143642400
2-Chloro-6-methyl-2,3-dihydropyridine
CID 163682843
N-(chloromethyl)-6-methylhepta-1,5-dien-4-imine
CID 173644079
(Z)-2-chloro-N-methylhex-4-en-3-imine
CID 145092423

Frequently Asked Questions

What is the IUPAC name of (Z)-2-chloro-N-methylhex-4-en-3-imine;ethane?
The IUPAC name of (Z)-2-chloro-N-methylhex-4-en-3-imine;ethane (CID 145092422) is (Z)-2-chloro-N-methylhex-4-en-3-imine;ethane.
What is the SMILES notation for (Z)-2-chloro-N-methylhex-4-en-3-imine;ethane?
The canonical SMILES for (Z)-2-chloro-N-methylhex-4-en-3-imine;ethane is C/C=C\C(=N\C)C(C)Cl.CC.CC.
What is the InChIKey of (Z)-2-chloro-N-methylhex-4-en-3-imine;ethane?
The InChIKey is WFUJRNVDERHTOF-MELCAWGKSA-N. The full InChI is InChI=1S/C7H12ClN.2C2H6/c1-4-5-7(9-3)6(2)8;2*1-2/h4-6H,1-3H3;2*1-2H3/b5-4-,9-7-;;.
What are the key properties of (Z)-2-chloro-N-methylhex-4-en-3-imine;ethane?
(Z)-2-chloro-N-methylhex-4-en-3-imine;ethane has a molecular weight of 205.77 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-chloro-N-methylhex-4-en-3-imine;ethane is sourced from PubChem (CID 145092422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).