4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine

C13H20N2 — CID 43436341

IUPAC4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine
SMILESCc1cc(N(C)C2CCCC2)ccc1N
InChIInChI=1S/C13H20N2/c1-10-9-12(7-8-13(10)14)15(2)11-5-3-4-6-11/h7-9,11H,3-6,14H2,1-2H3
InChIKeyFQUUJTOYFDYRED-UHFFFAOYSA-N
MW204.32 g/mol
LogP2.96
Rot. Bonds2

About 4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine

4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine (PubChem CID 43436341) has the molecular formula C13H20N2 and a molecular weight of 204.32 g/mol. Its IUPAC name is 4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine
PubChem CID43436341
Molecular FormulaC13H20N2
Molecular Weight204.32 g/mol
Exact Mass204.16
IUPAC Name4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine
SMILESCc1cc(N(C)C2CCCC2)ccc1N
InChIInChI=1S/C13H20N2/c1-10-9-12(7-8-13(10)14)15(2)11-5-3-4-6-11/h7-9,11H,3-6,14H2,1-2H3
InChIKeyFQUUJTOYFDYRED-UHFFFAOYSA-N
XLogP2.96
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.32
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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,2-dimethylbenzene-1,4-diamine?
The IUPAC name of 4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine (CID 43436341) is 4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine?
The canonical SMILES for 4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine is Cc1cc(N(C)C2CCCC2)ccc1N.
What is the InChIKey of 4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine?
The InChIKey is FQUUJTOYFDYRED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2/c1-10-9-12(7-8-13(10)14)15(2)11-5-3-4-6-11/h7-9,11H,3-6,14H2,1-2H3.
What are the key properties of 4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine?
4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine has a molecular weight of 204.32 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclopentyl-4-N,2-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 43436341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).