4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine

C13H20N2O — CID 43616833

IUPAC4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine
SMILESCN(C)c1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C13H20N2O/c1-15(2)13-5-3-11(4-6-13)14-12-7-9-16-10-8-12/h3-6,12,14H,7-10H2,1-2H3
InChIKeyJYASRBRSTBKZHH-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.34
Rot. Bonds3

About 4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine

4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine (PubChem CID 43616833) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine.

Molecular Properties

Compound Name4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine
PubChem CID43616833
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine
SMILESCN(C)c1ccc(NC2CCOCC2)cc1
InChIInChI=1S/C13H20N2O/c1-15(2)13-5-3-11(4-6-13)14-12-7-9-16-10-8-12/h3-6,12,14H,7-10H2,1-2H3
InChIKeyJYASRBRSTBKZHH-UHFFFAOYSA-N
XLogP2.34
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine?
The IUPAC name of 4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine (CID 43616833) is 4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine.
What is the SMILES notation for 4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine?
The canonical SMILES for 4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine is CN(C)c1ccc(NC2CCOCC2)cc1.
What is the InChIKey of 4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine?
The InChIKey is JYASRBRSTBKZHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-15(2)13-5-3-11(4-6-13)14-12-7-9-16-10-8-12/h3-6,12,14H,7-10H2,1-2H3.
What are the key properties of 4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine?
4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine has a molecular weight of 220.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N,4-N-dimethyl-1-N-(oxan-4-yl)benzene-1,4-diamine is sourced from PubChem (CID 43616833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).