3-N,3-N-bis(2-methoxyethyl)-2H-1,4-benzoxazine-3,6-diamine

C14H21N3O3 — CID 82368065

IUPAC3-N,3-N-bis(2-methoxyethyl)-2H-1,4-benzoxazine-3,6-diamine
SMILESCOCCN(CCOC)C1=Nc2cc(N)ccc2OC1
InChIInChI=1S/C14H21N3O3/c1-18-7-5-17(6-8-19-2)14-10-20-13-4-3-11(15)9-12(13)16-14/h3-4,9H,5-8,10,15H2,1-2H3
InChIKeyGAKZLWMSZSIBRV-UHFFFAOYSA-N
MW279.34 g/mol
LogP1.29
Rot. Bonds6

About 3-N,3-N-bis(2-methoxyethyl)-2H-1,4-benzoxazine-3,6-diamine

3-N,3-N-bis(2-methoxyethyl)-2H-1,4-benzoxazine-3,6-diamine (PubChem CID 82368065) has the molecular formula C14H21N3O3 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-N,3-N-bis(2-methoxyethyl)-2H-1,4-benzoxazine-3,6-diamine.

Molecular Properties

Compound Name3-N,3-N-bis(2-methoxyethyl)-2H-1,4-benzoxazine-3,6-diamine
PubChem CID82368065
Molecular FormulaC14H21N3O3
Molecular Weight279.34 g/mol
Exact Mass279.16
IUPAC Name3-N,3-N-bis(2-methoxyethyl)-2H-1,4-benzoxazine-3,6-diamine
SMILESCOCCN(CCOC)C1=Nc2cc(N)ccc2OC1
InChIInChI=1S/C14H21N3O3/c1-18-7-5-17(6-8-19-2)14-10-20-13-4-3-11(15)9-12(13)16-14/h3-4,9H,5-8,10,15H2,1-2H3
InChIKeyGAKZLWMSZSIBRV-UHFFFAOYSA-N
XLogP1.29
TPSA69.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-bis(2-methoxyethyl)-2H-1,4-benzoxazine-3,6-diamine?
The IUPAC name of 3-N,3-N-bis(2-methoxyethyl)-2H-1,4-benzoxazine-3,6-diamine (CID 82368065) is 3-N,3-N-bis(2-methoxyethyl)-2H-1,4-benzoxazine-3,6-diamine.
What is the SMILES notation for 3-N,3-N-bis(2-methoxyethyl)-2H-1,4-benzoxazine-3,6-diamine?
The canonical SMILES for 3-N,3-N-bis(2-methoxyethyl)-2H-1,4-benzoxazine-3,6-diamine is COCCN(CCOC)C1=Nc2cc(N)ccc2OC1.
What is the InChIKey of 3-N,3-N-bis(2-methoxyethyl)-2H-1,4-benzoxazine-3,6-diamine?
The InChIKey is GAKZLWMSZSIBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3/c1-18-7-5-17(6-8-19-2)14-10-20-13-4-3-11(15)9-12(13)16-14/h3-4,9H,5-8,10,15H2,1-2H3.
What are the key properties of 3-N,3-N-bis(2-methoxyethyl)-2H-1,4-benzoxazine-3,6-diamine?
3-N,3-N-bis(2-methoxyethyl)-2H-1,4-benzoxazine-3,6-diamine has a molecular weight of 279.34 g/mol, XLogP of 1.29, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-bis(2-methoxyethyl)-2H-1,4-benzoxazine-3,6-diamine is sourced from PubChem (CID 82368065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).