4-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridin-3-amine

C15H19ClN2 — CID 83164717

IUPAC4-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridin-3-amine
SMILESClc1ccncc1NC1CC2CC1C1CCCC21
InChIInChI=1S/C15H19ClN2/c16-13-4-5-17-8-15(13)18-14-7-9-6-12(14)11-3-1-2-10(9)11/h4-5,8-12,14,18H,1-3,6-7H2
InChIKeyXDTUBSHRNZHGAU-UHFFFAOYSA-N
MW262.78 g/mol
LogP3.97
Rot. Bonds2

About 4-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridin-3-amine

4-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridin-3-amine (PubChem CID 83164717) has the molecular formula C15H19ClN2 and a molecular weight of 262.78 g/mol. Its IUPAC name is 4-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridin-3-amine.

Molecular Properties

Compound Name4-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridin-3-amine
PubChem CID83164717
Molecular FormulaC15H19ClN2
Molecular Weight262.78 g/mol
Exact Mass262.12
IUPAC Name4-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridin-3-amine
SMILESClc1ccncc1NC1CC2CC1C1CCCC21
InChIInChI=1S/C15H19ClN2/c16-13-4-5-17-8-15(13)18-14-7-9-6-12(14)11-3-1-2-10(9)11/h4-5,8-12,14,18H,1-3,6-7H2
InChIKeyXDTUBSHRNZHGAU-UHFFFAOYSA-N
XLogP3.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.78
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridin-3-amine?
The IUPAC name of 4-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridin-3-amine (CID 83164717) is 4-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridin-3-amine.
What is the SMILES notation for 4-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridin-3-amine?
The canonical SMILES for 4-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridin-3-amine is Clc1ccncc1NC1CC2CC1C1CCCC21.
What is the InChIKey of 4-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridin-3-amine?
The InChIKey is XDTUBSHRNZHGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN2/c16-13-4-5-17-8-15(13)18-14-7-9-6-12(14)11-3-1-2-10(9)11/h4-5,8-12,14,18H,1-3,6-7H2.
What are the key properties of 4-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridin-3-amine?
4-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridin-3-amine has a molecular weight of 262.78 g/mol, XLogP of 3.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(8-tricyclo[5.2.1.02,6]decanyl)pyridin-3-amine is sourced from PubChem (CID 83164717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).