(5E,7Z,9E)-5-methyl-1,2,3,4-tetrahydro-1,4-diazecine

C9H14N2 — CID 143944984

IUPAC(5E,7Z,9E)-5-methyl-1,2,3,4-tetrahydro-1,4-diazecine
SMILESC/C1=C\C=C/C=C/NCCN1
InChIInChI=1S/C9H14N2/c1-9-5-3-2-4-6-10-7-8-11-9/h2-6,10-11H,7-8H2,1H3/b3-2-,6-4+,9-5+
InChIKeyDVRJZPAGJBQKEI-HSPBAGEGSA-N
MW150.22 g/mol
LogP1.15
Rot. Bonds

About (5E,7Z,9E)-5-methyl-1,2,3,4-tetrahydro-1,4-diazecine

(5E,7Z,9E)-5-methyl-1,2,3,4-tetrahydro-1,4-diazecine (PubChem CID 143944984) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is (5E,7Z,9E)-5-methyl-1,2,3,4-tetrahydro-1,4-diazecine.

Molecular Properties

Compound Name(5E,7Z,9E)-5-methyl-1,2,3,4-tetrahydro-1,4-diazecine
PubChem CID143944984
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name(5E,7Z,9E)-5-methyl-1,2,3,4-tetrahydro-1,4-diazecine
SMILESC/C1=C\C=C/C=C/NCCN1
InChIInChI=1S/C9H14N2/c1-9-5-3-2-4-6-10-7-8-11-9/h2-6,10-11H,7-8H2,1H3/b3-2-,6-4+,9-5+
InChIKeyDVRJZPAGJBQKEI-HSPBAGEGSA-N
XLogP1.15
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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1H-azepin-2-ol;hydrobromide
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Frequently Asked Questions

What is the IUPAC name of (5E,7Z,9E)-5-methyl-1,2,3,4-tetrahydro-1,4-diazecine?
The IUPAC name of (5E,7Z,9E)-5-methyl-1,2,3,4-tetrahydro-1,4-diazecine (CID 143944984) is (5E,7Z,9E)-5-methyl-1,2,3,4-tetrahydro-1,4-diazecine.
What is the SMILES notation for (5E,7Z,9E)-5-methyl-1,2,3,4-tetrahydro-1,4-diazecine?
The canonical SMILES for (5E,7Z,9E)-5-methyl-1,2,3,4-tetrahydro-1,4-diazecine is C/C1=C\C=C/C=C/NCCN1.
What is the InChIKey of (5E,7Z,9E)-5-methyl-1,2,3,4-tetrahydro-1,4-diazecine?
The InChIKey is DVRJZPAGJBQKEI-HSPBAGEGSA-N. The full InChI is InChI=1S/C9H14N2/c1-9-5-3-2-4-6-10-7-8-11-9/h2-6,10-11H,7-8H2,1H3/b3-2-,6-4+,9-5+.
What are the key properties of (5E,7Z,9E)-5-methyl-1,2,3,4-tetrahydro-1,4-diazecine?
(5E,7Z,9E)-5-methyl-1,2,3,4-tetrahydro-1,4-diazecine has a molecular weight of 150.22 g/mol, XLogP of 1.15, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E,7Z,9E)-5-methyl-1,2,3,4-tetrahydro-1,4-diazecine is sourced from PubChem (CID 143944984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).