3-N-cyclohexyl-5-ethoxy-3-N-ethylbenzene-1,3-diamine

C16H26N2O — CID 80725295

IUPAC3-N-cyclohexyl-5-ethoxy-3-N-ethylbenzene-1,3-diamine
SMILESCCOc1cc(N)cc(N(CC)C2CCCCC2)c1
InChIInChI=1S/C16H26N2O/c1-3-18(14-8-6-5-7-9-14)15-10-13(17)11-16(12-15)19-4-2/h10-12,14H,3-9,17H2,1-2H3
InChIKeyWTYOJVDMANCMTB-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.83
Rot. Bonds5

About 3-N-cyclohexyl-5-ethoxy-3-N-ethylbenzene-1,3-diamine

3-N-cyclohexyl-5-ethoxy-3-N-ethylbenzene-1,3-diamine (PubChem CID 80725295) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 3-N-cyclohexyl-5-ethoxy-3-N-ethylbenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-cyclohexyl-5-ethoxy-3-N-ethylbenzene-1,3-diamine
PubChem CID80725295
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name3-N-cyclohexyl-5-ethoxy-3-N-ethylbenzene-1,3-diamine
SMILESCCOc1cc(N)cc(N(CC)C2CCCCC2)c1
InChIInChI=1S/C16H26N2O/c1-3-18(14-8-6-5-7-9-14)15-10-13(17)11-16(12-15)19-4-2/h10-12,14H,3-9,17H2,1-2H3
InChIKeyWTYOJVDMANCMTB-UHFFFAOYSA-N
XLogP3.83
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.40
LogP ≤ 53.83
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 3-N-cyclohexyl-5-ethoxy-3-N-ethylbenzene-1,3-diamine?
The IUPAC name of 3-N-cyclohexyl-5-ethoxy-3-N-ethylbenzene-1,3-diamine (CID 80725295) is 3-N-cyclohexyl-5-ethoxy-3-N-ethylbenzene-1,3-diamine.
What is the SMILES notation for 3-N-cyclohexyl-5-ethoxy-3-N-ethylbenzene-1,3-diamine?
The canonical SMILES for 3-N-cyclohexyl-5-ethoxy-3-N-ethylbenzene-1,3-diamine is CCOc1cc(N)cc(N(CC)C2CCCCC2)c1.
What is the InChIKey of 3-N-cyclohexyl-5-ethoxy-3-N-ethylbenzene-1,3-diamine?
The InChIKey is WTYOJVDMANCMTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-3-18(14-8-6-5-7-9-14)15-10-13(17)11-16(12-15)19-4-2/h10-12,14H,3-9,17H2,1-2H3.
What are the key properties of 3-N-cyclohexyl-5-ethoxy-3-N-ethylbenzene-1,3-diamine?
3-N-cyclohexyl-5-ethoxy-3-N-ethylbenzene-1,3-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-cyclohexyl-5-ethoxy-3-N-ethylbenzene-1,3-diamine is sourced from PubChem (CID 80725295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).