2-(5-cycloheptyltriazol-1-yl)ethanamine

C11H20N4 — CID 115026055

IUPAC2-(5-cycloheptyltriazol-1-yl)ethanamine
SMILESNCCn1nncc1C1CCCCCC1
InChIInChI=1S/C11H20N4/c12-7-8-15-11(9-13-14-15)10-5-3-1-2-4-6-10/h9-10H,1-8,12H2
InChIKeyBJFNKDKRGREVIO-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.67
Rot. Bonds3

About 2-(5-cycloheptyltriazol-1-yl)ethanamine

2-(5-cycloheptyltriazol-1-yl)ethanamine (PubChem CID 115026055) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 2-(5-cycloheptyltriazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(5-cycloheptyltriazol-1-yl)ethanamine
PubChem CID115026055
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name2-(5-cycloheptyltriazol-1-yl)ethanamine
SMILESNCCn1nncc1C1CCCCCC1
InChIInChI=1S/C11H20N4/c12-7-8-15-11(9-13-14-15)10-5-3-1-2-4-6-10/h9-10H,1-8,12H2
InChIKeyBJFNKDKRGREVIO-UHFFFAOYSA-N
XLogP1.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.31
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-cyclopentyltriazol-1-yl)ethanamine
CID 115015736
3-(5-cyclohexyltriazol-1-yl)propan-1-amine
CID 115026054
3-(5-cycloheptyltriazol-1-yl)propan-1-amine
CID 115033614
3-(5-cyclohexyltriazol-1-yl)propan-1-ol
CID 115026567
3-(5-cyclobutyltriazol-1-yl)propan-1-ol
CID 115015905
2-(5-cyclopentylpyrazol-1-yl)ethanamine
CID 84768029
2-[(5-cyclobutyltriazol-1-yl)methyl]piperidine
CID 115032296
3-[3-(2-fluoroethyl)triazol-4-yl]piperidine
CID 84668324
N-propyl-2-(3-propyltriazol-4-yl)cycloheptan-1-amine
CID 114690150
N-propyl-2-(3-propyltriazol-4-yl)cyclohexan-1-amine
CID 114690135
1-(cyclohexylmethyl)-5-methyltriazole
CID 139378897
[cyclooctyl-(3-propyltriazol-4-yl)methyl]hydrazine
CID 105255083

Frequently Asked Questions

What is the IUPAC name of 2-(5-cycloheptyltriazol-1-yl)ethanamine?
The IUPAC name of 2-(5-cycloheptyltriazol-1-yl)ethanamine (CID 115026055) is 2-(5-cycloheptyltriazol-1-yl)ethanamine.
What is the SMILES notation for 2-(5-cycloheptyltriazol-1-yl)ethanamine?
The canonical SMILES for 2-(5-cycloheptyltriazol-1-yl)ethanamine is NCCn1nncc1C1CCCCCC1.
What is the InChIKey of 2-(5-cycloheptyltriazol-1-yl)ethanamine?
The InChIKey is BJFNKDKRGREVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c12-7-8-15-11(9-13-14-15)10-5-3-1-2-4-6-10/h9-10H,1-8,12H2.
What are the key properties of 2-(5-cycloheptyltriazol-1-yl)ethanamine?
2-(5-cycloheptyltriazol-1-yl)ethanamine has a molecular weight of 208.31 g/mol, XLogP of 1.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cycloheptyltriazol-1-yl)ethanamine is sourced from PubChem (CID 115026055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).