(Z)-2-N-methyl-4-N-methylidene-3-(1,2,3,6-tetrahydropyridin-4-yl)but-3-ene-2,4-diimine

C11H17N3 — CID 143998352

IUPAC(Z)-2-N-methyl-4-N-methylidene-3-(1,2,3,6-tetrahydropyridin-4-yl)but-3-ene-2,4-diimine
SMILESC=N/C=C(C1=CCNCC1)\C(C)=N\C
InChIInChI=1S/C11H17N3/c1-9(13-3)11(8-12-2)10-4-6-14-7-5-10/h4,8,14H,2,5-7H2,1,3H3/b11-8+,13-9+
InChIKeyRNTVPDGGWHWELY-BLTLMDCKSA-N
MW191.28 g/mol
LogP1.58
Rot. Bonds3

About (Z)-2-N-methyl-4-N-methylidene-3-(1,2,3,6-tetrahydropyridin-4-yl)but-3-ene-2,4-diimine

(Z)-2-N-methyl-4-N-methylidene-3-(1,2,3,6-tetrahydropyridin-4-yl)but-3-ene-2,4-diimine (PubChem CID 143998352) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is (Z)-2-N-methyl-4-N-methylidene-3-(1,2,3,6-tetrahydropyridin-4-yl)but-3-ene-2,4-diimine.

Molecular Properties

Compound Name(Z)-2-N-methyl-4-N-methylidene-3-(1,2,3,6-tetrahydropyridin-4-yl)but-3-ene-2,4-diimine
PubChem CID143998352
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name(Z)-2-N-methyl-4-N-methylidene-3-(1,2,3,6-tetrahydropyridin-4-yl)but-3-ene-2,4-diimine
SMILESC=N/C=C(C1=CCNCC1)\C(C)=N\C
InChIInChI=1S/C11H17N3/c1-9(13-3)11(8-12-2)10-4-6-14-7-5-10/h4,8,14H,2,5-7H2,1,3H3/b11-8+,13-9+
InChIKeyRNTVPDGGWHWELY-BLTLMDCKSA-N
XLogP1.58
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-N-methyl-4-N-methylidene-3-(1,2,3,6-tetrahydropyridin-4-yl)but-3-ene-2,4-diimine?
The IUPAC name of (Z)-2-N-methyl-4-N-methylidene-3-(1,2,3,6-tetrahydropyridin-4-yl)but-3-ene-2,4-diimine (CID 143998352) is (Z)-2-N-methyl-4-N-methylidene-3-(1,2,3,6-tetrahydropyridin-4-yl)but-3-ene-2,4-diimine.
What is the SMILES notation for (Z)-2-N-methyl-4-N-methylidene-3-(1,2,3,6-tetrahydropyridin-4-yl)but-3-ene-2,4-diimine?
The canonical SMILES for (Z)-2-N-methyl-4-N-methylidene-3-(1,2,3,6-tetrahydropyridin-4-yl)but-3-ene-2,4-diimine is C=N/C=C(C1=CCNCC1)\C(C)=N\C.
What is the InChIKey of (Z)-2-N-methyl-4-N-methylidene-3-(1,2,3,6-tetrahydropyridin-4-yl)but-3-ene-2,4-diimine?
The InChIKey is RNTVPDGGWHWELY-BLTLMDCKSA-N. The full InChI is InChI=1S/C11H17N3/c1-9(13-3)11(8-12-2)10-4-6-14-7-5-10/h4,8,14H,2,5-7H2,1,3H3/b11-8+,13-9+.
What are the key properties of (Z)-2-N-methyl-4-N-methylidene-3-(1,2,3,6-tetrahydropyridin-4-yl)but-3-ene-2,4-diimine?
(Z)-2-N-methyl-4-N-methylidene-3-(1,2,3,6-tetrahydropyridin-4-yl)but-3-ene-2,4-diimine has a molecular weight of 191.28 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-N-methyl-4-N-methylidene-3-(1,2,3,6-tetrahydropyridin-4-yl)but-3-ene-2,4-diimine is sourced from PubChem (CID 143998352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).