(Z)-3-N-ethenyl-5-methyl-1-N-(2-methylpropylidene)hex-1-ene-1,3-diimine

C13H22N2 — CID 166995370

IUPAC(Z)-3-N-ethenyl-5-methyl-1-N-(2-methylpropylidene)hex-1-ene-1,3-diimine
SMILESC=C/N=C(/C=C\N=C\C(C)C)CC(C)C
InChIInChI=1S/C13H22N2/c1-6-15-13(9-11(2)3)7-8-14-10-12(4)5/h6-8,10-12H,1,9H2,2-5H3/b8-7-,14-10+,15-13-
InChIKeyUXYOZSOMVXTUDX-NMHGSHJYSA-N
MW206.33 g/mol
LogP3.86
Rot. Bonds6

About (Z)-3-N-ethenyl-5-methyl-1-N-(2-methylpropylidene)hex-1-ene-1,3-diimine

(Z)-3-N-ethenyl-5-methyl-1-N-(2-methylpropylidene)hex-1-ene-1,3-diimine (PubChem CID 166995370) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is (Z)-3-N-ethenyl-5-methyl-1-N-(2-methylpropylidene)hex-1-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-3-N-ethenyl-5-methyl-1-N-(2-methylpropylidene)hex-1-ene-1,3-diimine
PubChem CID166995370
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name(Z)-3-N-ethenyl-5-methyl-1-N-(2-methylpropylidene)hex-1-ene-1,3-diimine
SMILESC=C/N=C(/C=C\N=C\C(C)C)CC(C)C
InChIInChI=1S/C13H22N2/c1-6-15-13(9-11(2)3)7-8-14-10-12(4)5/h6-8,10-12H,1,9H2,2-5H3/b8-7-,14-10+,15-13-
InChIKeyUXYOZSOMVXTUDX-NMHGSHJYSA-N
XLogP3.86
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-ethenyl-3-methyl-N-methylidenebutanimidamide
CID 178151525
5-methyl-N-prop-1-en-2-ylhex-1-en-3-imine
CID 145061781
ethane;N-ethenylpent-1-en-3-imine
CID 143591103
N-[(1Z)-buta-1,3-dienyl]-4-methylpentan-2-imine
CID 129029808
(Z,Z)-6-methyl-N-(methylideneamino)hept-2-en-4-imine
CID 129093780
ethane;(Z)-N-ethenyl-5-methylhex-3-en-2-imine
CID 156743916
N-ethenyl-5-methyl-4-methylidenehexan-3-imine
CID 177170143
2-N-ethenyl-1-N-methyl-3-propan-2-yloxypropane-1,2-diimine
CID 170730716
(3Z)-4-ethenyl-3,6-dimethylhepta-1,3-diene
CID 142238134
N-ethenyl-5,5,5-trifluoropent-1-en-3-imine
CID 146740408
7-methyl-5-methylideneocta-1,3-diene
CID 123347446
methyl (NE,1Z)-3-methyl-N-(2-methylpropylidene)butanehydrazonate
CID 172929554

Frequently Asked Questions

What is the IUPAC name of (Z)-3-N-ethenyl-5-methyl-1-N-(2-methylpropylidene)hex-1-ene-1,3-diimine?
The IUPAC name of (Z)-3-N-ethenyl-5-methyl-1-N-(2-methylpropylidene)hex-1-ene-1,3-diimine (CID 166995370) is (Z)-3-N-ethenyl-5-methyl-1-N-(2-methylpropylidene)hex-1-ene-1,3-diimine.
What is the SMILES notation for (Z)-3-N-ethenyl-5-methyl-1-N-(2-methylpropylidene)hex-1-ene-1,3-diimine?
The canonical SMILES for (Z)-3-N-ethenyl-5-methyl-1-N-(2-methylpropylidene)hex-1-ene-1,3-diimine is C=C/N=C(/C=C\N=C\C(C)C)CC(C)C.
What is the InChIKey of (Z)-3-N-ethenyl-5-methyl-1-N-(2-methylpropylidene)hex-1-ene-1,3-diimine?
The InChIKey is UXYOZSOMVXTUDX-NMHGSHJYSA-N. The full InChI is InChI=1S/C13H22N2/c1-6-15-13(9-11(2)3)7-8-14-10-12(4)5/h6-8,10-12H,1,9H2,2-5H3/b8-7-,14-10+,15-13-.
What are the key properties of (Z)-3-N-ethenyl-5-methyl-1-N-(2-methylpropylidene)hex-1-ene-1,3-diimine?
(Z)-3-N-ethenyl-5-methyl-1-N-(2-methylpropylidene)hex-1-ene-1,3-diimine has a molecular weight of 206.33 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-N-ethenyl-5-methyl-1-N-(2-methylpropylidene)hex-1-ene-1,3-diimine is sourced from PubChem (CID 166995370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).