2-N-(oxan-4-yl)-2-N-propylbenzene-1,2-diamine

C14H22N2O — CID 63937656

IUPAC2-N-(oxan-4-yl)-2-N-propylbenzene-1,2-diamine
SMILESCCCN(c1ccccc1N)C1CCOCC1
InChIInChI=1S/C14H22N2O/c1-2-9-16(12-7-10-17-11-8-12)14-6-4-3-5-13(14)15/h3-6,12H,2,7-11,15H2,1H3
InChIKeyYFYLKRAWTSORIO-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.66
Rot. Bonds4

About 2-N-(oxan-4-yl)-2-N-propylbenzene-1,2-diamine

2-N-(oxan-4-yl)-2-N-propylbenzene-1,2-diamine (PubChem CID 63937656) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 2-N-(oxan-4-yl)-2-N-propylbenzene-1,2-diamine.

Molecular Properties

Compound Name2-N-(oxan-4-yl)-2-N-propylbenzene-1,2-diamine
PubChem CID63937656
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name2-N-(oxan-4-yl)-2-N-propylbenzene-1,2-diamine
SMILESCCCN(c1ccccc1N)C1CCOCC1
InChIInChI=1S/C14H22N2O/c1-2-9-16(12-7-10-17-11-8-12)14-6-4-3-5-13(14)15/h3-6,12H,2,7-11,15H2,1H3
InChIKeyYFYLKRAWTSORIO-UHFFFAOYSA-N
XLogP2.66
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-N-(oxan-4-yl)-2-N-propylbenzene-1,2-diamine?
The IUPAC name of 2-N-(oxan-4-yl)-2-N-propylbenzene-1,2-diamine (CID 63937656) is 2-N-(oxan-4-yl)-2-N-propylbenzene-1,2-diamine.
What is the SMILES notation for 2-N-(oxan-4-yl)-2-N-propylbenzene-1,2-diamine?
The canonical SMILES for 2-N-(oxan-4-yl)-2-N-propylbenzene-1,2-diamine is CCCN(c1ccccc1N)C1CCOCC1.
What is the InChIKey of 2-N-(oxan-4-yl)-2-N-propylbenzene-1,2-diamine?
The InChIKey is YFYLKRAWTSORIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-9-16(12-7-10-17-11-8-12)14-6-4-3-5-13(14)15/h3-6,12H,2,7-11,15H2,1H3.
What are the key properties of 2-N-(oxan-4-yl)-2-N-propylbenzene-1,2-diamine?
2-N-(oxan-4-yl)-2-N-propylbenzene-1,2-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(oxan-4-yl)-2-N-propylbenzene-1,2-diamine is sourced from PubChem (CID 63937656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).