N-(4-chlorocyclohexyl)pyridin-4-amine

C11H15ClN2 — CID 65027641

IUPACN-(4-chlorocyclohexyl)pyridin-4-amine
SMILESClC1CCC(Nc2ccncc2)CC1
InChIInChI=1S/C11H15ClN2/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h5-10H,1-4H2,(H,13,14)
InChIKeyVUQCIAFQRUYQCF-UHFFFAOYSA-N
MW210.71 g/mol
LogP3.04
Rot. Bonds2

About N-(4-chlorocyclohexyl)pyridin-4-amine

N-(4-chlorocyclohexyl)pyridin-4-amine (PubChem CID 65027641) has the molecular formula C11H15ClN2 and a molecular weight of 210.71 g/mol. Its IUPAC name is N-(4-chlorocyclohexyl)pyridin-4-amine.

Molecular Properties

Compound NameN-(4-chlorocyclohexyl)pyridin-4-amine
PubChem CID65027641
Molecular FormulaC11H15ClN2
Molecular Weight210.71 g/mol
Exact Mass210.09
IUPAC NameN-(4-chlorocyclohexyl)pyridin-4-amine
SMILESClC1CCC(Nc2ccncc2)CC1
InChIInChI=1S/C11H15ClN2/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h5-10H,1-4H2,(H,13,14)
InChIKeyVUQCIAFQRUYQCF-UHFFFAOYSA-N
XLogP3.04
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.71
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorocyclohexyl)pyridin-4-amine?
The IUPAC name of N-(4-chlorocyclohexyl)pyridin-4-amine (CID 65027641) is N-(4-chlorocyclohexyl)pyridin-4-amine.
What is the SMILES notation for N-(4-chlorocyclohexyl)pyridin-4-amine?
The canonical SMILES for N-(4-chlorocyclohexyl)pyridin-4-amine is ClC1CCC(Nc2ccncc2)CC1.
What is the InChIKey of N-(4-chlorocyclohexyl)pyridin-4-amine?
The InChIKey is VUQCIAFQRUYQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2/c12-9-1-3-10(4-2-9)14-11-5-7-13-8-6-11/h5-10H,1-4H2,(H,13,14).
What are the key properties of N-(4-chlorocyclohexyl)pyridin-4-amine?
N-(4-chlorocyclohexyl)pyridin-4-amine has a molecular weight of 210.71 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorocyclohexyl)pyridin-4-amine is sourced from PubChem (CID 65027641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).