3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine

C15H24N2O — CID 80738185

IUPAC3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine
SMILESCCOc1cc(N)cc(NC2CCCC2(C)C)c1
InChIInChI=1S/C15H24N2O/c1-4-18-13-9-11(16)8-12(10-13)17-14-6-5-7-15(14,2)3/h8-10,14,17H,4-7,16H2,1-3H3
InChIKeyVESTWWUQNPNXLS-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.66
Rot. Bonds4

About 3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine

3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine (PubChem CID 80738185) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine.

Molecular Properties

Compound Name3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine
PubChem CID80738185
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine
SMILESCCOc1cc(N)cc(NC2CCCC2(C)C)c1
InChIInChI=1S/C15H24N2O/c1-4-18-13-9-11(16)8-12(10-13)17-14-6-5-7-15(14,2)3/h8-10,14,17H,4-7,16H2,1-3H3
InChIKeyVESTWWUQNPNXLS-UHFFFAOYSA-N
XLogP3.66
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.66
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 3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine?
The IUPAC name of 3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine (CID 80738185) is 3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine.
What is the SMILES notation for 3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine?
The canonical SMILES for 3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine is CCOc1cc(N)cc(NC2CCCC2(C)C)c1.
What is the InChIKey of 3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine?
The InChIKey is VESTWWUQNPNXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-4-18-13-9-11(16)8-12(10-13)17-14-6-5-7-15(14,2)3/h8-10,14,17H,4-7,16H2,1-3H3.
What are the key properties of 3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine?
3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2,2-dimethylcyclopentyl)-5-ethoxybenzene-1,3-diamine is sourced from PubChem (CID 80738185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).