N-[[1-(2-ethylcyclohexyl)tetrazol-5-yl]methyl]ethanamine

C12H23N5 — CID 62763138

IUPACN-[[1-(2-ethylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1C1CCCCC1CC
InChIInChI=1S/C12H23N5/c1-3-10-7-5-6-8-11(10)17-12(9-13-4-2)14-15-16-17/h10-11,13H,3-9H2,1-2H3
InChIKeyBONLSNVACQGDQF-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.92
Rot. Bonds5

About N-[[1-(2-ethylcyclohexyl)tetrazol-5-yl]methyl]ethanamine

N-[[1-(2-ethylcyclohexyl)tetrazol-5-yl]methyl]ethanamine (PubChem CID 62763138) has the molecular formula C12H23N5 and a molecular weight of 237.35 g/mol. Its IUPAC name is N-[[1-(2-ethylcyclohexyl)tetrazol-5-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(2-ethylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
PubChem CID62763138
Molecular FormulaC12H23N5
Molecular Weight237.35 g/mol
Exact Mass237.20
IUPAC NameN-[[1-(2-ethylcyclohexyl)tetrazol-5-yl]methyl]ethanamine
SMILESCCNCc1nnnn1C1CCCCC1CC
InChIInChI=1S/C12H23N5/c1-3-10-7-5-6-8-11(10)17-12(9-13-4-2)14-15-16-17/h10-11,13H,3-9H2,1-2H3
InChIKeyBONLSNVACQGDQF-UHFFFAOYSA-N
XLogP1.92
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[1-(2-ethylcyclohexyl)tetrazol-5-yl]methyl]ethanamine 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-[[1-(2-ethylcyclohexyl)tetrazol-5-yl]methyl]ethanamine?
The IUPAC name of N-[[1-(2-ethylcyclohexyl)tetrazol-5-yl]methyl]ethanamine (CID 62763138) is N-[[1-(2-ethylcyclohexyl)tetrazol-5-yl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(2-ethylcyclohexyl)tetrazol-5-yl]methyl]ethanamine?
The canonical SMILES for N-[[1-(2-ethylcyclohexyl)tetrazol-5-yl]methyl]ethanamine is CCNCc1nnnn1C1CCCCC1CC.
What is the InChIKey of N-[[1-(2-ethylcyclohexyl)tetrazol-5-yl]methyl]ethanamine?
The InChIKey is BONLSNVACQGDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5/c1-3-10-7-5-6-8-11(10)17-12(9-13-4-2)14-15-16-17/h10-11,13H,3-9H2,1-2H3.
What are the key properties of N-[[1-(2-ethylcyclohexyl)tetrazol-5-yl]methyl]ethanamine?
N-[[1-(2-ethylcyclohexyl)tetrazol-5-yl]methyl]ethanamine has a molecular weight of 237.35 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-ethylcyclohexyl)tetrazol-5-yl]methyl]ethanamine is sourced from PubChem (CID 62763138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).