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8-methyl-1,6-dihydro-1,3-diazocin-7-amine

C7H11N3 — CID 123202821

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC8-methyl-1,6-dihydro-1,3-diazocin-7-amine
SMILESCC1=C(N)CC=C/N=C\N1
InChIInChI=1S/C7H11N3/c1-6-7(8)3-2-4-9-5-10-6/h2,4-5H,3,8H2,1H3,(H,9,10)
InChIKeyAMXSOYVJKUGCKL-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.71
Rot. Bonds

About 8-methyl-1,6-dihydro-1,3-diazocin-7-amine

8-methyl-1,6-dihydro-1,3-diazocin-7-amine (PubChem CID 123202821) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 8-methyl-1,6-dihydro-1,3-diazocin-7-amine.

Molecular Properties

Compound Name8-methyl-1,6-dihydro-1,3-diazocin-7-amine
PubChem CID123202821
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name8-methyl-1,6-dihydro-1,3-diazocin-7-amine
SMILESCC1=C(N)CC=C/N=C\N1
InChIInChI=1S/C7H11N3/c1-6-7(8)3-2-4-9-5-10-6/h2,4-5H,3,8H2,1H3,(H,9,10)
InChIKeyAMXSOYVJKUGCKL-UHFFFAOYSA-N
XLogP0.71
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-1,6-dihydro-1,3-diazocin-7-amine?
The IUPAC name of 8-methyl-1,6-dihydro-1,3-diazocin-7-amine (CID 123202821) is 8-methyl-1,6-dihydro-1,3-diazocin-7-amine.
What is the SMILES notation for 8-methyl-1,6-dihydro-1,3-diazocin-7-amine?
The canonical SMILES for 8-methyl-1,6-dihydro-1,3-diazocin-7-amine is CC1=C(N)CC=C/N=C\N1.
What is the InChIKey of 8-methyl-1,6-dihydro-1,3-diazocin-7-amine?
The InChIKey is AMXSOYVJKUGCKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-6-7(8)3-2-4-9-5-10-6/h2,4-5H,3,8H2,1H3,(H,9,10).
What are the key properties of 8-methyl-1,6-dihydro-1,3-diazocin-7-amine?
8-methyl-1,6-dihydro-1,3-diazocin-7-amine has a molecular weight of 137.19 g/mol, XLogP of 0.71, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-1,6-dihydro-1,3-diazocin-7-amine is sourced from PubChem (CID 123202821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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