3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine

C14H18ClF3N2 — CID 106012866

IUPAC3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCCCC2CCCC2)c(Cl)c1
InChIInChI=1S/C14H18ClF3N2/c15-12-8-11(14(16,17)18)9-20-13(12)19-7-3-6-10-4-1-2-5-10/h8-10H,1-7H2,(H,19,20)
InChIKeyKOUPNQPXEGFTNQ-UHFFFAOYSA-N
MW306.76 g/mol
LogP5.14
Rot. Bonds5

About 3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 106012866) has the molecular formula C14H18ClF3N2 and a molecular weight of 306.76 g/mol. Its IUPAC name is 3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine
PubChem CID106012866
Molecular FormulaC14H18ClF3N2
Molecular Weight306.76 g/mol
Exact Mass306.11
IUPAC Name3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine
SMILESFC(F)(F)c1cnc(NCCCC2CCCC2)c(Cl)c1
InChIInChI=1S/C14H18ClF3N2/c15-12-8-11(14(16,17)18)9-20-13(12)19-7-3-6-10-4-1-2-5-10/h8-10H,1-7H2,(H,19,20)
InChIKeyKOUPNQPXEGFTNQ-UHFFFAOYSA-N
XLogP5.14
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.76
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine (CID 106012866) is 3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine is FC(F)(F)c1cnc(NCCCC2CCCC2)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is KOUPNQPXEGFTNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClF3N2/c15-12-8-11(14(16,17)18)9-20-13(12)19-7-3-6-10-4-1-2-5-10/h8-10H,1-7H2,(H,19,20).
What are the key properties of 3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 306.76 g/mol, XLogP of 5.14, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-cyclopentylpropyl)-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 106012866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).