N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine

C13H24N4 — CID 80681774

IUPACN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine
SMILESCn1cnc(CCNC2CCCCCCC2)n1
InChIInChI=1S/C13H24N4/c1-17-11-15-13(16-17)9-10-14-12-7-5-3-2-4-6-8-12/h11-12,14H,2-10H2,1H3
InChIKeyMRLDKGXQUXQLNH-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.06
Rot. Bonds4

About N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine

N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine (PubChem CID 80681774) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine.

Molecular Properties

Compound NameN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine
PubChem CID80681774
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC NameN-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine
SMILESCn1cnc(CCNC2CCCCCCC2)n1
InChIInChI=1S/C13H24N4/c1-17-11-15-13(16-17)9-10-14-12-7-5-3-2-4-6-8-12/h11-12,14H,2-10H2,1H3
InChIKeyMRLDKGXQUXQLNH-UHFFFAOYSA-N
XLogP2.06
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine?
The IUPAC name of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine (CID 80681774) is N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine.
What is the SMILES notation for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine?
The canonical SMILES for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine is Cn1cnc(CCNC2CCCCCCC2)n1.
What is the InChIKey of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine?
The InChIKey is MRLDKGXQUXQLNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-17-11-15-13(16-17)9-10-14-12-7-5-3-2-4-6-8-12/h11-12,14H,2-10H2,1H3.
What are the key properties of N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine?
N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine has a molecular weight of 236.36 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]cyclooctanamine is sourced from PubChem (CID 80681774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).