(3Z,5Z,8E)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-2,7-dihydro-1H-1,3-diazonine

C13H19N3 — CID 143396223

IUPAC(3Z,5Z,8E)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-2,7-dihydro-1H-1,3-diazonine
SMILESCC1=N/CN/C=C(/C2=CCNCC2)C/C=C\1
InChIInChI=1S/C13H19N3/c1-11-3-2-4-13(9-15-10-16-11)12-5-7-14-8-6-12/h2-3,5,9,14-15H,4,6-8,10H2,1H3/b3-2-,13-9+,16-11-
InChIKeyKSRJQWQQJIAYDB-DDPZCYRUSA-N
MW217.32 g/mol
LogP1.76
Rot. Bonds1

About (3Z,5Z,8E)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-2,7-dihydro-1H-1,3-diazonine

(3Z,5Z,8E)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-2,7-dihydro-1H-1,3-diazonine (PubChem CID 143396223) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is (3Z,5Z,8E)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-2,7-dihydro-1H-1,3-diazonine.

Molecular Properties

Compound Name(3Z,5Z,8E)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-2,7-dihydro-1H-1,3-diazonine
PubChem CID143396223
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name(3Z,5Z,8E)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-2,7-dihydro-1H-1,3-diazonine
SMILESCC1=N/CN/C=C(/C2=CCNCC2)C/C=C\1
InChIInChI=1S/C13H19N3/c1-11-3-2-4-13(9-15-10-16-11)12-5-7-14-8-6-12/h2-3,5,9,14-15H,4,6-8,10H2,1H3/b3-2-,13-9+,16-11-
InChIKeyKSRJQWQQJIAYDB-DDPZCYRUSA-N
XLogP1.76
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z,8E)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-2,7-dihydro-1H-1,3-diazonine?
The IUPAC name of (3Z,5Z,8E)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-2,7-dihydro-1H-1,3-diazonine (CID 143396223) is (3Z,5Z,8E)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-2,7-dihydro-1H-1,3-diazonine.
What is the SMILES notation for (3Z,5Z,8E)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-2,7-dihydro-1H-1,3-diazonine?
The canonical SMILES for (3Z,5Z,8E)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-2,7-dihydro-1H-1,3-diazonine is CC1=N/CN/C=C(/C2=CCNCC2)C/C=C\1.
What is the InChIKey of (3Z,5Z,8E)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-2,7-dihydro-1H-1,3-diazonine?
The InChIKey is KSRJQWQQJIAYDB-DDPZCYRUSA-N. The full InChI is InChI=1S/C13H19N3/c1-11-3-2-4-13(9-15-10-16-11)12-5-7-14-8-6-12/h2-3,5,9,14-15H,4,6-8,10H2,1H3/b3-2-,13-9+,16-11-.
What are the key properties of (3Z,5Z,8E)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-2,7-dihydro-1H-1,3-diazonine?
(3Z,5Z,8E)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-2,7-dihydro-1H-1,3-diazonine has a molecular weight of 217.32 g/mol, XLogP of 1.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z,8E)-4-methyl-8-(1,2,3,6-tetrahydropyridin-4-yl)-2,7-dihydro-1H-1,3-diazonine is sourced from PubChem (CID 143396223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).