6-N-ethyl-5-N-methyl-4H-1,3-diazepine-5,6-diamine

C8H14N4 — CID 143478946

IUPAC6-N-ethyl-5-N-methyl-4H-1,3-diazepine-5,6-diamine
SMILESCCNC1=C(NC)CN=CN=C1
InChIInChI=1S/C8H14N4/c1-3-12-8-5-11-6-10-4-7(8)9-2/h5-6,9,12H,3-4H2,1-2H3
InChIKeyZZMVXQFAIFSELT-UHFFFAOYSA-N
MW166.23 g/mol
LogP0.14
Rot. Bonds3

About 6-N-ethyl-5-N-methyl-4H-1,3-diazepine-5,6-diamine

6-N-ethyl-5-N-methyl-4H-1,3-diazepine-5,6-diamine (PubChem CID 143478946) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 6-N-ethyl-5-N-methyl-4H-1,3-diazepine-5,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-N-methyl-4H-1,3-diazepine-5,6-diamine
PubChem CID143478946
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name6-N-ethyl-5-N-methyl-4H-1,3-diazepine-5,6-diamine
SMILESCCNC1=C(NC)CN=CN=C1
InChIInChI=1S/C8H14N4/c1-3-12-8-5-11-6-10-4-7(8)9-2/h5-6,9,12H,3-4H2,1-2H3
InChIKeyZZMVXQFAIFSELT-UHFFFAOYSA-N
XLogP0.14
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 50.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-N-methyl-4H-1,3-diazepine-5,6-diamine?
The IUPAC name of 6-N-ethyl-5-N-methyl-4H-1,3-diazepine-5,6-diamine (CID 143478946) is 6-N-ethyl-5-N-methyl-4H-1,3-diazepine-5,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-N-methyl-4H-1,3-diazepine-5,6-diamine?
The canonical SMILES for 6-N-ethyl-5-N-methyl-4H-1,3-diazepine-5,6-diamine is CCNC1=C(NC)CN=CN=C1.
What is the InChIKey of 6-N-ethyl-5-N-methyl-4H-1,3-diazepine-5,6-diamine?
The InChIKey is ZZMVXQFAIFSELT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-3-12-8-5-11-6-10-4-7(8)9-2/h5-6,9,12H,3-4H2,1-2H3.
What are the key properties of 6-N-ethyl-5-N-methyl-4H-1,3-diazepine-5,6-diamine?
6-N-ethyl-5-N-methyl-4H-1,3-diazepine-5,6-diamine has a molecular weight of 166.23 g/mol, XLogP of 0.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-N-methyl-4H-1,3-diazepine-5,6-diamine is sourced from PubChem (CID 143478946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).