(E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine

C11H20N2 — CID 123210191

IUPAC(E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine
SMILESCC/N=C/C=C(CC)/N=C(\C)CC
InChIInChI=1S/C11H20N2/c1-5-10(4)13-11(6-2)8-9-12-7-3/h8-9H,5-7H2,1-4H3/b11-8+,12-9+,13-10+
InChIKeyDCDLIBCFUMABIQ-FOXWYSRTSA-N
MW180.29 g/mol
LogP3.24
Rot. Bonds5

About (E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine

(E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine (PubChem CID 123210191) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is (E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine.

Molecular Properties

Compound Name(E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine
PubChem CID123210191
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name(E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine
SMILESCC/N=C/C=C(CC)/N=C(\C)CC
InChIInChI=1S/C11H20N2/c1-5-10(4)13-11(6-2)8-9-12-7-3/h8-9H,5-7H2,1-4H3/b11-8+,12-9+,13-10+
InChIKeyDCDLIBCFUMABIQ-FOXWYSRTSA-N
XLogP3.24
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 53.24
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

(Z)-3-N-(2-fluoroethyl)-2,6-dimethyl-5-N-methylidenehept-4-ene-3,5-diimine
CID 174353090
5-ethyl-3H-pyrrole
CID 18717561
N-pent-2-en-3-ylethanimine
CID 20761973
N-[(Z)-4,4-dimethylpent-2-en-2-yl]-2,2-dimethylpropan-1-imine
CID 59179900
(Z)-N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 59782212
(2E)-2-ethylidene-N-methylpyridin-3-imine
CID 68010674
(E)-N-[(Z)-1-(4-methyl-2,3-dihydropyridin-6-yl)prop-1-enyl]but-2-en-1-imine
CID 71158073
N,N-dimethyl-4-methyliminopent-2-en-2-amine
CID 72560398
2-ethylidene-N-methylpyridin-3-imine
CID 77385875
2-methyl-N-[(Z)-pent-2-en-3-yl]prop-2-en-1-imine
CID 88994507
N-[(Z)-pent-2-en-3-yl]ethanimine
CID 89115805
5,7-dimethyl-2H-1,4-diazepine
CID 89171243

Frequently Asked Questions

What is the IUPAC name of (E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine?
The IUPAC name of (E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine (CID 123210191) is (E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine.
What is the SMILES notation for (E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine?
The canonical SMILES for (E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine is CC/N=C/C=C(CC)/N=C(\C)CC.
What is the InChIKey of (E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine?
The InChIKey is DCDLIBCFUMABIQ-FOXWYSRTSA-N. The full InChI is InChI=1S/C11H20N2/c1-5-10(4)13-11(6-2)8-9-12-7-3/h8-9H,5-7H2,1-4H3/b11-8+,12-9+,13-10+.
What are the key properties of (E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine?
(E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine has a molecular weight of 180.29 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-N-butan-2-ylidene-1-N-ethylpent-2-ene-1,3-diimine is sourced from PubChem (CID 123210191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).