4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine

C15H24N2O — CID 83002795

IUPAC4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
SMILESCC(C)Oc1cc(N(C)C2CCCC2)ccc1N
InChIInChI=1S/C15H24N2O/c1-11(2)18-15-10-13(8-9-14(15)16)17(3)12-6-4-5-7-12/h8-12H,4-7,16H2,1-3H3
InChIKeyUYWLKCPQINCOFX-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.43
Rot. Bonds4

About 4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine

4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine (PubChem CID 83002795) has the molecular formula C15H24N2O and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
PubChem CID83002795
Molecular FormulaC15H24N2O
Molecular Weight248.37 g/mol
Exact Mass248.19
IUPAC Name4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine
SMILESCC(C)Oc1cc(N(C)C2CCCC2)ccc1N
InChIInChI=1S/C15H24N2O/c1-11(2)18-15-10-13(8-9-14(15)16)17(3)12-6-4-5-7-12/h8-12H,4-7,16H2,1-3H3
InChIKeyUYWLKCPQINCOFX-UHFFFAOYSA-N
XLogP3.43
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.43
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 4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine?
The IUPAC name of 4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine (CID 83002795) is 4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine is CC(C)Oc1cc(N(C)C2CCCC2)ccc1N.
What is the InChIKey of 4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine?
The InChIKey is UYWLKCPQINCOFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O/c1-11(2)18-15-10-13(8-9-14(15)16)17(3)12-6-4-5-7-12/h8-12H,4-7,16H2,1-3H3.
What are the key properties of 4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine?
4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine has a molecular weight of 248.37 g/mol, XLogP of 3.43, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-4-N-methyl-2-propan-2-yloxybenzene-1,4-diamine is sourced from PubChem (CID 83002795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).