N-[2-(triazol-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine

C14H22N4 — CID 113375261

IUPACN-[2-(triazol-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESc1cn(CCNC2CC3CC2C2CCCC32)nn1
InChIInChI=1S/C14H22N4/c1-2-11-10-8-13(12(11)3-1)14(9-10)15-4-6-18-7-5-16-17-18/h5,7,10-15H,1-4,6,8-9H2
InChIKeyZLOSCIVWVXQMRG-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.69
Rot. Bonds4

About N-[2-(triazol-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine

N-[2-(triazol-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine (PubChem CID 113375261) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is N-[2-(triazol-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine.

Molecular Properties

Compound NameN-[2-(triazol-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
PubChem CID113375261
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC NameN-[2-(triazol-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine
SMILESc1cn(CCNC2CC3CC2C2CCCC32)nn1
InChIInChI=1S/C14H22N4/c1-2-11-10-8-13(12(11)3-1)14(9-10)15-4-6-18-7-5-16-17-18/h5,7,10-15H,1-4,6,8-9H2
InChIKeyZLOSCIVWVXQMRG-UHFFFAOYSA-N
XLogP1.69
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(triazol-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The IUPAC name of N-[2-(triazol-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine (CID 113375261) is N-[2-(triazol-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine.
What is the SMILES notation for N-[2-(triazol-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The canonical SMILES for N-[2-(triazol-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine is c1cn(CCNC2CC3CC2C2CCCC32)nn1.
What is the InChIKey of N-[2-(triazol-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
The InChIKey is ZLOSCIVWVXQMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-2-11-10-8-13(12(11)3-1)14(9-10)15-4-6-18-7-5-16-17-18/h5,7,10-15H,1-4,6,8-9H2.
What are the key properties of N-[2-(triazol-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine?
N-[2-(triazol-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine has a molecular weight of 246.36 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(triazol-1-yl)ethyl]tricyclo[5.2.1.02,6]decan-8-amine is sourced from PubChem (CID 113375261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).