2-methoxy-N,N-dimethyl-5H-1,3-diazepin-4-amine

C8H13N3O — CID 11275224

IUPAC2-methoxy-N,N-dimethyl-5H-1,3-diazepin-4-amine
SMILESCOC1=NC=CCC(N(C)C)=N1
InChIInChI=1S/C8H13N3O/c1-11(2)7-5-4-6-9-8(10-7)12-3/h4,6H,5H2,1-3H3
InChIKeyLFLKNPFQFGSCDE-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.87
Rot. Bonds

About 2-methoxy-N,N-dimethyl-5H-1,3-diazepin-4-amine

2-methoxy-N,N-dimethyl-5H-1,3-diazepin-4-amine (PubChem CID 11275224) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 2-methoxy-N,N-dimethyl-5H-1,3-diazepin-4-amine.

Molecular Properties

Compound Name2-methoxy-N,N-dimethyl-5H-1,3-diazepin-4-amine
PubChem CID11275224
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name2-methoxy-N,N-dimethyl-5H-1,3-diazepin-4-amine
SMILESCOC1=NC=CCC(N(C)C)=N1
InChIInChI=1S/C8H13N3O/c1-11(2)7-5-4-6-9-8(10-7)12-3/h4,6H,5H2,1-3H3
InChIKeyLFLKNPFQFGSCDE-UHFFFAOYSA-N
XLogP0.87
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-methoxy-N,N-dimethyl-5H-1,3-diazepin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N,N-dimethyl-5H-1,3-diazepin-4-amine?
The IUPAC name of 2-methoxy-N,N-dimethyl-5H-1,3-diazepin-4-amine (CID 11275224) is 2-methoxy-N,N-dimethyl-5H-1,3-diazepin-4-amine.
What is the SMILES notation for 2-methoxy-N,N-dimethyl-5H-1,3-diazepin-4-amine?
The canonical SMILES for 2-methoxy-N,N-dimethyl-5H-1,3-diazepin-4-amine is COC1=NC=CCC(N(C)C)=N1.
What is the InChIKey of 2-methoxy-N,N-dimethyl-5H-1,3-diazepin-4-amine?
The InChIKey is LFLKNPFQFGSCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11(2)7-5-4-6-9-8(10-7)12-3/h4,6H,5H2,1-3H3.
What are the key properties of 2-methoxy-N,N-dimethyl-5H-1,3-diazepin-4-amine?
2-methoxy-N,N-dimethyl-5H-1,3-diazepin-4-amine has a molecular weight of 167.21 g/mol, XLogP of 0.87, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N,N-dimethyl-5H-1,3-diazepin-4-amine is sourced from PubChem (CID 11275224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).