1-N-(2-ethoxycyclopentyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine

C16H26N2O — CID 119052587

IUPAC1-N-(2-ethoxycyclopentyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
SMILESCCOC1CCCC1Nc1ccc(N(C)C)cc1C
InChIInChI=1S/C16H26N2O/c1-5-19-16-8-6-7-15(16)17-14-10-9-13(18(3)4)11-12(14)2/h9-11,15-17H,5-8H2,1-4H3
InChIKeyLNAYACINSMXTSB-UHFFFAOYSA-N
MW262.40 g/mol
LogP3.43
Rot. Bonds5

About 1-N-(2-ethoxycyclopentyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine

1-N-(2-ethoxycyclopentyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine (PubChem CID 119052587) has the molecular formula C16H26N2O and a molecular weight of 262.40 g/mol. Its IUPAC name is 1-N-(2-ethoxycyclopentyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name1-N-(2-ethoxycyclopentyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
PubChem CID119052587
Molecular FormulaC16H26N2O
Molecular Weight262.40 g/mol
Exact Mass262.20
IUPAC Name1-N-(2-ethoxycyclopentyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine
SMILESCCOC1CCCC1Nc1ccc(N(C)C)cc1C
InChIInChI=1S/C16H26N2O/c1-5-19-16-8-6-7-15(16)17-14-10-9-13(18(3)4)11-12(14)2/h9-11,15-17H,5-8H2,1-4H3
InChIKeyLNAYACINSMXTSB-UHFFFAOYSA-N
XLogP3.43
TPSA24.50 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 ≤ 53.43
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 1-N-(2-ethoxycyclopentyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The IUPAC name of 1-N-(2-ethoxycyclopentyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine (CID 119052587) is 1-N-(2-ethoxycyclopentyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine.
What is the SMILES notation for 1-N-(2-ethoxycyclopentyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The canonical SMILES for 1-N-(2-ethoxycyclopentyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine is CCOC1CCCC1Nc1ccc(N(C)C)cc1C.
What is the InChIKey of 1-N-(2-ethoxycyclopentyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine?
The InChIKey is LNAYACINSMXTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O/c1-5-19-16-8-6-7-15(16)17-14-10-9-13(18(3)4)11-12(14)2/h9-11,15-17H,5-8H2,1-4H3.
What are the key properties of 1-N-(2-ethoxycyclopentyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine?
1-N-(2-ethoxycyclopentyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine has a molecular weight of 262.40 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N-(2-ethoxycyclopentyl)-4-N,4-N,2-trimethylbenzene-1,4-diamine is sourced from PubChem (CID 119052587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).