1,4-dimethyl-5,8-dihydro-4H-1,3-diazocin-2-amine

C8H15N3 — CID 163619439

IUPAC1,4-dimethyl-5,8-dihydro-4H-1,3-diazocin-2-amine
SMILESCC1CC=CCN(C)/C(N)=N\1
InChIInChI=1S/C8H15N3/c1-7-5-3-4-6-11(2)8(9)10-7/h3-4,7H,5-6H2,1-2H3,(H2,9,10)
InChIKeyHMVKWHRHFVLRCI-UHFFFAOYSA-N
MW153.23 g/mol
LogP0.58
Rot. Bonds

About 1,4-dimethyl-5,8-dihydro-4H-1,3-diazocin-2-amine

1,4-dimethyl-5,8-dihydro-4H-1,3-diazocin-2-amine (PubChem CID 163619439) has the molecular formula C8H15N3 and a molecular weight of 153.23 g/mol. Its IUPAC name is 1,4-dimethyl-5,8-dihydro-4H-1,3-diazocin-2-amine.

Molecular Properties

Compound Name1,4-dimethyl-5,8-dihydro-4H-1,3-diazocin-2-amine
PubChem CID163619439
Molecular FormulaC8H15N3
Molecular Weight153.23 g/mol
Exact Mass153.13
IUPAC Name1,4-dimethyl-5,8-dihydro-4H-1,3-diazocin-2-amine
SMILESCC1CC=CCN(C)/C(N)=N\1
InChIInChI=1S/C8H15N3/c1-7-5-3-4-6-11(2)8(9)10-7/h3-4,7H,5-6H2,1-2H3,(H2,9,10)
InChIKeyHMVKWHRHFVLRCI-UHFFFAOYSA-N
XLogP0.58
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,4-dimethyl-5,8-dihydro-4H-1,3-diazocine
CID 123941212

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-5,8-dihydro-4H-1,3-diazocin-2-amine?
The IUPAC name of 1,4-dimethyl-5,8-dihydro-4H-1,3-diazocin-2-amine (CID 163619439) is 1,4-dimethyl-5,8-dihydro-4H-1,3-diazocin-2-amine.
What is the SMILES notation for 1,4-dimethyl-5,8-dihydro-4H-1,3-diazocin-2-amine?
The canonical SMILES for 1,4-dimethyl-5,8-dihydro-4H-1,3-diazocin-2-amine is CC1CC=CCN(C)/C(N)=N\1.
What is the InChIKey of 1,4-dimethyl-5,8-dihydro-4H-1,3-diazocin-2-amine?
The InChIKey is HMVKWHRHFVLRCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3/c1-7-5-3-4-6-11(2)8(9)10-7/h3-4,7H,5-6H2,1-2H3,(H2,9,10).
What are the key properties of 1,4-dimethyl-5,8-dihydro-4H-1,3-diazocin-2-amine?
1,4-dimethyl-5,8-dihydro-4H-1,3-diazocin-2-amine has a molecular weight of 153.23 g/mol, XLogP of 0.58, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-5,8-dihydro-4H-1,3-diazocin-2-amine is sourced from PubChem (CID 163619439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).