2,4-dimethyl-1,3-diazepin-4-amine

C7H11N3 — CID 143099968

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

About 2,4-dimethyl-1,3-diazepin-4-amine

2,4-dimethyl-1,3-diazepin-4-amine (PubChem CID 143099968) has the molecular formula C7H11N3 and a molecular weight of 137.19 g/mol. Its IUPAC name is 2,4-dimethyl-1,3-diazepin-4-amine.

Molecular Properties

Compound Name2,4-dimethyl-1,3-diazepin-4-amine
PubChem CID143099968
Molecular FormulaC7H11N3
Molecular Weight137.19 g/mol
Exact Mass137.10
IUPAC Name2,4-dimethyl-1,3-diazepin-4-amine
SMILESCC1=NC(C)(N)C=CC=N1
InChIInChI=1S/C7H11N3/c1-6-9-5-3-4-7(2,8)10-6/h3-5H,8H2,1-2H3
InChIKeyDHCFJPTZLZQXNI-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 2,4-dimethyl-1,3-diazepin-4-amine?
The IUPAC name of 2,4-dimethyl-1,3-diazepin-4-amine (CID 143099968) is 2,4-dimethyl-1,3-diazepin-4-amine.
What is the SMILES notation for 2,4-dimethyl-1,3-diazepin-4-amine?
The canonical SMILES for 2,4-dimethyl-1,3-diazepin-4-amine is CC1=NC(C)(N)C=CC=N1.
What is the InChIKey of 2,4-dimethyl-1,3-diazepin-4-amine?
The InChIKey is DHCFJPTZLZQXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3/c1-6-9-5-3-4-7(2,8)10-6/h3-5H,8H2,1-2H3.
What are the key properties of 2,4-dimethyl-1,3-diazepin-4-amine?
2,4-dimethyl-1,3-diazepin-4-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 2,4-dimethyl-1,3-diazepin-4-amine is sourced from PubChem (CID 143099968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).