3-N,3-N-dimethyl-2H-1,4-benzoxazine-3,7-diamine

C10H13N3O — CID 82368226

IUPAC3-N,3-N-dimethyl-2H-1,4-benzoxazine-3,7-diamine
SMILESCN(C)C1=Nc2ccc(N)cc2OC1
InChIInChI=1S/C10H13N3O/c1-13(2)10-6-14-9-5-7(11)3-4-8(9)12-10/h3-5H,6,11H2,1-2H3
InChIKeyLWXNLGXPOYPWFM-UHFFFAOYSA-N
MW191.23 g/mol
LogP1.25
Rot. Bonds

About 3-N,3-N-dimethyl-2H-1,4-benzoxazine-3,7-diamine

3-N,3-N-dimethyl-2H-1,4-benzoxazine-3,7-diamine (PubChem CID 82368226) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-2H-1,4-benzoxazine-3,7-diamine.

Molecular Properties

Compound Name3-N,3-N-dimethyl-2H-1,4-benzoxazine-3,7-diamine
PubChem CID82368226
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name3-N,3-N-dimethyl-2H-1,4-benzoxazine-3,7-diamine
SMILESCN(C)C1=Nc2ccc(N)cc2OC1
InChIInChI=1S/C10H13N3O/c1-13(2)10-6-14-9-5-7(11)3-4-8(9)12-10/h3-5H,6,11H2,1-2H3
InChIKeyLWXNLGXPOYPWFM-UHFFFAOYSA-N
XLogP1.25
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-N,3-N-dimethyl-2H-1,4-benzoxazine-3,7-diamine?
The IUPAC name of 3-N,3-N-dimethyl-2H-1,4-benzoxazine-3,7-diamine (CID 82368226) is 3-N,3-N-dimethyl-2H-1,4-benzoxazine-3,7-diamine.
What is the SMILES notation for 3-N,3-N-dimethyl-2H-1,4-benzoxazine-3,7-diamine?
The canonical SMILES for 3-N,3-N-dimethyl-2H-1,4-benzoxazine-3,7-diamine is CN(C)C1=Nc2ccc(N)cc2OC1.
What is the InChIKey of 3-N,3-N-dimethyl-2H-1,4-benzoxazine-3,7-diamine?
The InChIKey is LWXNLGXPOYPWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c1-13(2)10-6-14-9-5-7(11)3-4-8(9)12-10/h3-5H,6,11H2,1-2H3.
What are the key properties of 3-N,3-N-dimethyl-2H-1,4-benzoxazine-3,7-diamine?
3-N,3-N-dimethyl-2H-1,4-benzoxazine-3,7-diamine has a molecular weight of 191.23 g/mol, XLogP of 1.25, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-2H-1,4-benzoxazine-3,7-diamine is sourced from PubChem (CID 82368226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).