1-N-(2,2-dimethyloxan-4-yl)-2-methylbenzene-1,4-diamine

C14H22N2O — CID 83028141

IUPAC1-N-(2,2-dimethyloxan-4-yl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1NC1CCOC(C)(C)C1
InChIInChI=1S/C14H22N2O/c1-10-8-11(15)4-5-13(10)16-12-6-7-17-14(2,3)9-12/h4-5,8,12,16H,6-7,9,15H2,1-3H3
InChIKeyMDNOLUTUFDWQQV-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.95
Rot. Bonds2

About 1-N-(2,2-dimethyloxan-4-yl)-2-methylbenzene-1,4-diamine

1-N-(2,2-dimethyloxan-4-yl)-2-methylbenzene-1,4-diamine (PubChem CID 83028141) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 1-N-(2,2-dimethyloxan-4-yl)-2-methylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2,2-dimethyloxan-4-yl)-2-methylbenzene-1,4-diamine
PubChem CID83028141
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name1-N-(2,2-dimethyloxan-4-yl)-2-methylbenzene-1,4-diamine
SMILESCc1cc(N)ccc1NC1CCOC(C)(C)C1
InChIInChI=1S/C14H22N2O/c1-10-8-11(15)4-5-13(10)16-12-6-7-17-14(2,3)9-12/h4-5,8,12,16H,6-7,9,15H2,1-3H3
InChIKeyMDNOLUTUFDWQQV-UHFFFAOYSA-N
XLogP2.95
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.95
H-Bond Donors ≤ 52
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 1-N-(2,2-dimethyloxan-4-yl)-2-methylbenzene-1,4-diamine?
The IUPAC name of 1-N-(2,2-dimethyloxan-4-yl)-2-methylbenzene-1,4-diamine (CID 83028141) is 1-N-(2,2-dimethyloxan-4-yl)-2-methylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2,2-dimethyloxan-4-yl)-2-methylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(2,2-dimethyloxan-4-yl)-2-methylbenzene-1,4-diamine is Cc1cc(N)ccc1NC1CCOC(C)(C)C1.
What is the InChIKey of 1-N-(2,2-dimethyloxan-4-yl)-2-methylbenzene-1,4-diamine?
The InChIKey is MDNOLUTUFDWQQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-10-8-11(15)4-5-13(10)16-12-6-7-17-14(2,3)9-12/h4-5,8,12,16H,6-7,9,15H2,1-3H3.
What are the key properties of 1-N-(2,2-dimethyloxan-4-yl)-2-methylbenzene-1,4-diamine?
1-N-(2,2-dimethyloxan-4-yl)-2-methylbenzene-1,4-diamine has a molecular weight of 234.34 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2,2-dimethyloxan-4-yl)-2-methylbenzene-1,4-diamine is sourced from PubChem (CID 83028141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).