N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)ethanamine

C11H20N4 — CID 14747637

IUPACN-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)ethanamine
SMILESc1ncn(CCNCC2CCCCC2)n1
InChIInChI=1S/C11H20N4/c1-2-4-11(5-3-1)8-12-6-7-15-10-13-9-14-15/h9-12H,1-8H2
InChIKeyABLWVGMHXKRFAO-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.45
Rot. Bonds5

About N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)ethanamine

N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)ethanamine (PubChem CID 14747637) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)ethanamine.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)ethanamine
PubChem CID14747637
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC NameN-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)ethanamine
SMILESc1ncn(CCNCC2CCCCC2)n1
InChIInChI=1S/C11H20N4/c1-2-4-11(5-3-1)8-12-6-7-15-10-13-9-14-15/h9-12H,1-8H2
InChIKeyABLWVGMHXKRFAO-UHFFFAOYSA-N
XLogP1.45
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)ethanamine?
The IUPAC name of N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)ethanamine (CID 14747637) is N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)ethanamine.
What is the SMILES notation for N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)ethanamine?
The canonical SMILES for N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)ethanamine is c1ncn(CCNCC2CCCCC2)n1.
What is the InChIKey of N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)ethanamine?
The InChIKey is ABLWVGMHXKRFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-4-11(5-3-1)8-12-6-7-15-10-13-9-14-15/h9-12H,1-8H2.
What are the key properties of N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)ethanamine?
N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)ethanamine has a molecular weight of 208.31 g/mol, XLogP of 1.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-2-(1,2,4-triazol-1-yl)ethanamine is sourced from PubChem (CID 14747637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).