2,5-dimethyl-1,3-diazepin-5-amine

C7H11N3 — CID 143013600

IUPAC2,5-dimethyl-1,3-diazepin-5-amine
SMILESCC1=NC=CC(C)(N)C=N1
InChIInChI=1S/C7H11N3/c1-6-9-4-3-7(2,8)5-10-6/h3-5H,8H2,1-2H3
InChIKeyPPNMTIHMLGKRNM-UHFFFAOYSA-N
MW137.19 g/mol
LogP0.72
Rot. Bonds

About 2,5-dimethyl-1,3-diazepin-5-amine

2,5-dimethyl-1,3-diazepin-5-amine (PubChem CID 143013600) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2,5-dimethyl-1,3-diazepin-5-amine.

Molecular Properties

Compound Name2,5-dimethyl-1,3-diazepin-5-amine
PubChem CID143013600
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2,5-dimethyl-1,3-diazepin-5-amine
SMILESCC1=NC=CC(C)(N)C=N1
InChIInChI=1S/C7H11N3/c1-6-9-4-3-7(2,8)5-10-6/h3-5H,8H2,1-2H3
InChIKeyPPNMTIHMLGKRNM-UHFFFAOYSA-N
XLogP0.72
TPSA50.74 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.19
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,3-diazepin-5-amine?
The IUPAC name of 2,5-dimethyl-1,3-diazepin-5-amine (CID 143013600) is 2,5-dimethyl-1,3-diazepin-5-amine.
What is the SMILES notation for 2,5-dimethyl-1,3-diazepin-5-amine?
The canonical SMILES for 2,5-dimethyl-1,3-diazepin-5-amine is CC1=NC=CC(C)(N)C=N1.
What is the InChIKey of 2,5-dimethyl-1,3-diazepin-5-amine?
The InChIKey is PPNMTIHMLGKRNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-6-9-4-3-7(2,8)5-10-6/h3-5H,8H2,1-2H3.
What are the key properties of 2,5-dimethyl-1,3-diazepin-5-amine?
2,5-dimethyl-1,3-diazepin-5-amine has a molecular weight of 137.19 g/mol, XLogP of 0.72, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,3-diazepin-5-amine is sourced from PubChem (CID 143013600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).