(E)-2-N-(1-ethylcyclobut-2-en-1-yl)-3-[(Z)-prop-1-enyl]hex-3-ene-1,2-diimine

C15H22N2 — CID 163464894

IUPAC(E)-2-N-(1-ethylcyclobut-2-en-1-yl)-3-[(Z)-prop-1-enyl]hex-3-ene-1,2-diimine
SMILES[H]/N=C/C(=N\C1(CC)C=CC1)C(/C=C\C)=C/CC
InChIInChI=1S/C15H22N2/c1-4-8-13(9-5-2)14(12-16)17-15(6-3)10-7-11-15/h4,7-10,12,16H,5-6,11H2,1-3H3/b8-4-,13-9+,16-12+,17-14+
InChIKeyBRRZMGGPMBNVKB-YSIPYVJBSA-N
MW230.35 g/mol
LogP4.10
Rot. Bonds6

About (E)-2-N-(1-ethylcyclobut-2-en-1-yl)-3-[(Z)-prop-1-enyl]hex-3-ene-1,2-diimine

(E)-2-N-(1-ethylcyclobut-2-en-1-yl)-3-[(Z)-prop-1-enyl]hex-3-ene-1,2-diimine (PubChem CID 163464894) has the molecular formula C15H22N2 and a molecular weight of 230.35 g/mol. Its IUPAC name is (E)-2-N-(1-ethylcyclobut-2-en-1-yl)-3-[(Z)-prop-1-enyl]hex-3-ene-1,2-diimine.

Molecular Properties

Compound Name(E)-2-N-(1-ethylcyclobut-2-en-1-yl)-3-[(Z)-prop-1-enyl]hex-3-ene-1,2-diimine
PubChem CID163464894
Molecular FormulaC15H22N2
Molecular Weight230.35 g/mol
Exact Mass230.18
IUPAC Name(E)-2-N-(1-ethylcyclobut-2-en-1-yl)-3-[(Z)-prop-1-enyl]hex-3-ene-1,2-diimine
SMILES[H]/N=C/C(=N\C1(CC)C=CC1)C(/C=C\C)=C/CC
InChIInChI=1S/C15H22N2/c1-4-8-13(9-5-2)14(12-16)17-15(6-3)10-7-11-15/h4,7-10,12,16H,5-6,11H2,1-3H3/b8-4-,13-9+,16-12+,17-14+
InChIKeyBRRZMGGPMBNVKB-YSIPYVJBSA-N
XLogP4.10
TPSA36.21 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (E)-2-N-(1-ethylcyclobut-2-en-1-yl)-3-[(Z)-prop-1-enyl]hex-3-ene-1,2-diimine?
The IUPAC name of (E)-2-N-(1-ethylcyclobut-2-en-1-yl)-3-[(Z)-prop-1-enyl]hex-3-ene-1,2-diimine (CID 163464894) is (E)-2-N-(1-ethylcyclobut-2-en-1-yl)-3-[(Z)-prop-1-enyl]hex-3-ene-1,2-diimine.
What is the SMILES notation for (E)-2-N-(1-ethylcyclobut-2-en-1-yl)-3-[(Z)-prop-1-enyl]hex-3-ene-1,2-diimine?
The canonical SMILES for (E)-2-N-(1-ethylcyclobut-2-en-1-yl)-3-[(Z)-prop-1-enyl]hex-3-ene-1,2-diimine is [H]/N=C/C(=N\C1(CC)C=CC1)C(/C=C\C)=C/CC.
What is the InChIKey of (E)-2-N-(1-ethylcyclobut-2-en-1-yl)-3-[(Z)-prop-1-enyl]hex-3-ene-1,2-diimine?
The InChIKey is BRRZMGGPMBNVKB-YSIPYVJBSA-N. The full InChI is InChI=1S/C15H22N2/c1-4-8-13(9-5-2)14(12-16)17-15(6-3)10-7-11-15/h4,7-10,12,16H,5-6,11H2,1-3H3/b8-4-,13-9+,16-12+,17-14+.
What are the key properties of (E)-2-N-(1-ethylcyclobut-2-en-1-yl)-3-[(Z)-prop-1-enyl]hex-3-ene-1,2-diimine?
(E)-2-N-(1-ethylcyclobut-2-en-1-yl)-3-[(Z)-prop-1-enyl]hex-3-ene-1,2-diimine has a molecular weight of 230.35 g/mol, XLogP of 4.10, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-N-(1-ethylcyclobut-2-en-1-yl)-3-[(Z)-prop-1-enyl]hex-3-ene-1,2-diimine is sourced from PubChem (CID 163464894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).