4-N-(2-cyclopentylethyl)-1-N,4-N-dimethylbenzene-1,4-diamine

C15H24N2 — CID 117041491

IUPAC4-N-(2-cyclopentylethyl)-1-N,4-N-dimethylbenzene-1,4-diamine
SMILESCNc1ccc(N(C)CCC2CCCC2)cc1
InChIInChI=1S/C15H24N2/c1-16-14-7-9-15(10-8-14)17(2)12-11-13-5-3-4-6-13/h7-10,13,16H,3-6,11-12H2,1-2H3
InChIKeyYHLGAILWZBLXOA-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.74
Rot. Bonds5

About 4-N-(2-cyclopentylethyl)-1-N,4-N-dimethylbenzene-1,4-diamine

4-N-(2-cyclopentylethyl)-1-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 117041491) has the molecular formula C15H24N2 and a molecular weight of 232.37 g/mol. Its IUPAC name is 4-N-(2-cyclopentylethyl)-1-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-(2-cyclopentylethyl)-1-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID117041491
Molecular FormulaC15H24N2
Molecular Weight232.37 g/mol
Exact Mass232.19
IUPAC Name4-N-(2-cyclopentylethyl)-1-N,4-N-dimethylbenzene-1,4-diamine
SMILESCNc1ccc(N(C)CCC2CCCC2)cc1
InChIInChI=1S/C15H24N2/c1-16-14-7-9-15(10-8-14)17(2)12-11-13-5-3-4-6-13/h7-10,13,16H,3-6,11-12H2,1-2H3
InChIKeyYHLGAILWZBLXOA-UHFFFAOYSA-N
XLogP3.74
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-(2-cyclopentylethyl)-1-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 4-N-(2-cyclopentylethyl)-1-N,4-N-dimethylbenzene-1,4-diamine (CID 117041491) is 4-N-(2-cyclopentylethyl)-1-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-(2-cyclopentylethyl)-1-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 4-N-(2-cyclopentylethyl)-1-N,4-N-dimethylbenzene-1,4-diamine is CNc1ccc(N(C)CCC2CCCC2)cc1.
What is the InChIKey of 4-N-(2-cyclopentylethyl)-1-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is YHLGAILWZBLXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2/c1-16-14-7-9-15(10-8-14)17(2)12-11-13-5-3-4-6-13/h7-10,13,16H,3-6,11-12H2,1-2H3.
What are the key properties of 4-N-(2-cyclopentylethyl)-1-N,4-N-dimethylbenzene-1,4-diamine?
4-N-(2-cyclopentylethyl)-1-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 232.37 g/mol, XLogP of 3.74, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-cyclopentylethyl)-1-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 117041491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).