(Z)-3-N-ethylidene-1-N-methyl-2-[1-(2-methylbutylideneamino)ethenyl]but-2-ene-1,3-diimine

C14H23N3 — CID 123592386

IUPAC(Z)-3-N-ethylidene-1-N-methyl-2-[1-(2-methylbutylideneamino)ethenyl]but-2-ene-1,3-diimine
SMILESC=C(/N=C/C(C)CC)C(/C=N/C)=C(C)/N=C/C
InChIInChI=1S/C14H23N3/c1-7-11(3)9-17-13(5)14(10-15-6)12(4)16-8-2/h8-11H,5,7H2,1-4,6H3/b14-12+,15-10+,16-8+,17-9+
InChIKeyVVUFLWCHZWKKKL-WKJIIXQISA-N
MW233.36 g/mol
LogP3.68
Rot. Bonds6

About (Z)-3-N-ethylidene-1-N-methyl-2-[1-(2-methylbutylideneamino)ethenyl]but-2-ene-1,3-diimine

(Z)-3-N-ethylidene-1-N-methyl-2-[1-(2-methylbutylideneamino)ethenyl]but-2-ene-1,3-diimine (PubChem CID 123592386) has the molecular formula C14H23N3 and a molecular weight of 233.36 g/mol. Its IUPAC name is (Z)-3-N-ethylidene-1-N-methyl-2-[1-(2-methylbutylideneamino)ethenyl]but-2-ene-1,3-diimine.

Molecular Properties

Compound Name(Z)-3-N-ethylidene-1-N-methyl-2-[1-(2-methylbutylideneamino)ethenyl]but-2-ene-1,3-diimine
PubChem CID123592386
Molecular FormulaC14H23N3
Molecular Weight233.36 g/mol
Exact Mass233.19
IUPAC Name(Z)-3-N-ethylidene-1-N-methyl-2-[1-(2-methylbutylideneamino)ethenyl]but-2-ene-1,3-diimine
SMILESC=C(/N=C/C(C)CC)C(/C=N/C)=C(C)/N=C/C
InChIInChI=1S/C14H23N3/c1-7-11(3)9-17-13(5)14(10-15-6)12(4)16-8-2/h8-11H,5,7H2,1-4,6H3/b14-12+,15-10+,16-8+,17-9+
InChIKeyVVUFLWCHZWKKKL-WKJIIXQISA-N
XLogP3.68
TPSA37.08 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Methylidene-3,4-di(propan-2-yl)pyrrole
CID 60125762
N-[(2E,4E)-5,6-dimethylhepta-2,4-dien-3-yl]butan-1-imine
CID 91216682
1-N-(3,6-dimethylhepta-1,3,5-trien-2-yl)-2-N-methylpropane-1,2-diimine
CID 123154836
N-[(3E)-3-methyl-4-(methylideneamino)penta-1,3-dien-2-yl]ethanimine
CID 123241614
N-(3,4-dimethylhexa-1,3-dien-2-yl)-2-methylpropan-1-imine
CID 123963463
(2Z,4Z)-2-ethenyl-3-N-ethylidene-1-N-methylhexa-2,4-diene-1,3-diimine
CID 134334691
(2Z)-2-ethenyl-3-N-(2-methylpropylidene)penta-2,4-diene-1,3-diimine
CID 143298419
2-methyl-N-[(2Z,4E)-6-methylhepta-2,4,6-trien-3-yl]butan-1-imine
CID 143317648
ethane;2-methylbutane;N-[(3E,5Z)-3-methylhepta-1,3,5-trien-2-yl]prop-2-en-1-imine
CID 144125439
3-methyl-2-methylidene-N-[(4Z)-3-methylidenehepta-1,4,6-trien-2-yl]butan-1-imine
CID 145540433
N-[(3E)-4-(ethylideneamino)-2-methylpenta-1,3-dien-3-yl]-3-methylbut-3-en-2-imine
CID 166944064
ethane;(2E)-2-ethenyl-1-N-methyl-3-N-methylidenepenta-2,4-diene-1,3-diimine
CID 169264123

Frequently Asked Questions

What is the IUPAC name of (Z)-3-N-ethylidene-1-N-methyl-2-[1-(2-methylbutylideneamino)ethenyl]but-2-ene-1,3-diimine?
The IUPAC name of (Z)-3-N-ethylidene-1-N-methyl-2-[1-(2-methylbutylideneamino)ethenyl]but-2-ene-1,3-diimine (CID 123592386) is (Z)-3-N-ethylidene-1-N-methyl-2-[1-(2-methylbutylideneamino)ethenyl]but-2-ene-1,3-diimine.
What is the SMILES notation for (Z)-3-N-ethylidene-1-N-methyl-2-[1-(2-methylbutylideneamino)ethenyl]but-2-ene-1,3-diimine?
The canonical SMILES for (Z)-3-N-ethylidene-1-N-methyl-2-[1-(2-methylbutylideneamino)ethenyl]but-2-ene-1,3-diimine is C=C(/N=C/C(C)CC)C(/C=N/C)=C(C)/N=C/C.
What is the InChIKey of (Z)-3-N-ethylidene-1-N-methyl-2-[1-(2-methylbutylideneamino)ethenyl]but-2-ene-1,3-diimine?
The InChIKey is VVUFLWCHZWKKKL-WKJIIXQISA-N. The full InChI is InChI=1S/C14H23N3/c1-7-11(3)9-17-13(5)14(10-15-6)12(4)16-8-2/h8-11H,5,7H2,1-4,6H3/b14-12+,15-10+,16-8+,17-9+.
What are the key properties of (Z)-3-N-ethylidene-1-N-methyl-2-[1-(2-methylbutylideneamino)ethenyl]but-2-ene-1,3-diimine?
(Z)-3-N-ethylidene-1-N-methyl-2-[1-(2-methylbutylideneamino)ethenyl]but-2-ene-1,3-diimine has a molecular weight of 233.36 g/mol, XLogP of 3.68, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-N-ethylidene-1-N-methyl-2-[1-(2-methylbutylideneamino)ethenyl]but-2-ene-1,3-diimine is sourced from PubChem (CID 123592386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).