(Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine

C11H17N3 — CID 123329124

IUPAC(Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine
SMILES[H]/N=C/C(=C)C/C=C\C(\C=N\CC)=N\C
InChIInChI=1S/C11H17N3/c1-4-14-9-11(13-3)7-5-6-10(2)8-12/h5,7-9,12H,2,4,6H2,1,3H3/b7-5-,12-8+,13-11-,14-9+
InChIKeyBICJUNXBHGYQSO-BVEQUGRHSA-N
MW191.28 g/mol
LogP2.30
Rot. Bonds6

About (Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine

(Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine (PubChem CID 123329124) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine.

Molecular Properties

Compound Name(Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine
PubChem CID123329124
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine
SMILES[H]/N=C/C(=C)C/C=C\C(\C=N\CC)=N\C
InChIInChI=1S/C11H17N3/c1-4-14-9-11(13-3)7-5-6-10(2)8-12/h5,7-9,12H,2,4,6H2,1,3H3/b7-5-,12-8+,13-11-,14-9+
InChIKeyBICJUNXBHGYQSO-BVEQUGRHSA-N
XLogP2.30
TPSA48.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine with MolForge

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Related Compounds

[(E)-[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine
CID 118719543
[[(2E)-3,7-dimethylocta-2,6-dienylidene]amino]methanediamine
CID 172018331
(3Z)-3-ethylidene-N-methylpyridin-4-imine
CID 68179744
(6Z)-6-[(2-methylpropylideneamino)methylidene]cyclohexa-2,4-dien-1-imine
CID 69924450
(Z)-3-methylpent-2-ene-1,4-diimine
CID 87688718
(Z)-hex-2-ene-1,4-diimine
CID 88171021
(6Z)-6-(2-iminoethylidene)cyclohexa-2,4-dien-1-imine
CID 88409253
(Z)-5,5-dimethylhex-2-ene-1,4-diimine
CID 88945909
(Z)-2-methylpent-2-ene-1,4-diimine
CID 88986015
4-methyl-2H-pyridin-3-imine
CID 89382802
(2Z,4E,8Z,10Z)-5-methyldodeca-2,4,8,10-tetraene-1,7-diimine
CID 89546275
(Z)-N'-ethyl-N-methyl-4,5-dimethylidenehex-2-ene-1,6-diimine
CID 89672783

Frequently Asked Questions

What is the IUPAC name of (Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine?
The IUPAC name of (Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine (CID 123329124) is (Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine.
What is the SMILES notation for (Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine?
The canonical SMILES for (Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine is [H]/N=C/C(=C)C/C=C\C(\C=N\CC)=N\C.
What is the InChIKey of (Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine?
The InChIKey is BICJUNXBHGYQSO-BVEQUGRHSA-N. The full InChI is InChI=1S/C11H17N3/c1-4-14-9-11(13-3)7-5-6-10(2)8-12/h5,7-9,12H,2,4,6H2,1,3H3/b7-5-,12-8+,13-11-,14-9+.
What are the key properties of (Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine?
(Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine has a molecular weight of 191.28 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-N-ethyl-2-N-methyl-6-methylidenehept-3-ene-1,2,7-triimine is sourced from PubChem (CID 123329124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).