1-(1-cyclohexyltriazol-4-yl)propan-1-amine

C11H20N4 — CID 106227983

IUPAC1-(1-cyclohexyltriazol-4-yl)propan-1-amine
SMILESCCC(N)c1cn(C2CCCCC2)nn1
InChIInChI=1S/C11H20N4/c1-2-10(12)11-8-15(14-13-11)9-6-4-3-5-7-9/h8-10H,2-7,12H2,1H3
InChIKeyUKOQLEFUAGMXTM-UHFFFAOYSA-N
MW208.31 g/mol
LogP2.19
Rot. Bonds3

About 1-(1-cyclohexyltriazol-4-yl)propan-1-amine

1-(1-cyclohexyltriazol-4-yl)propan-1-amine (PubChem CID 106227983) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 1-(1-cyclohexyltriazol-4-yl)propan-1-amine.

Molecular Properties

Compound Name1-(1-cyclohexyltriazol-4-yl)propan-1-amine
PubChem CID106227983
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name1-(1-cyclohexyltriazol-4-yl)propan-1-amine
SMILESCCC(N)c1cn(C2CCCCC2)nn1
InChIInChI=1S/C11H20N4/c1-2-10(12)11-8-15(14-13-11)9-6-4-3-5-7-9/h8-10H,2-7,12H2,1H3
InChIKeyUKOQLEFUAGMXTM-UHFFFAOYSA-N
XLogP2.19
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 ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexyltriazol-4-yl)propan-1-amine?
The IUPAC name of 1-(1-cyclohexyltriazol-4-yl)propan-1-amine (CID 106227983) is 1-(1-cyclohexyltriazol-4-yl)propan-1-amine.
What is the SMILES notation for 1-(1-cyclohexyltriazol-4-yl)propan-1-amine?
The canonical SMILES for 1-(1-cyclohexyltriazol-4-yl)propan-1-amine is CCC(N)c1cn(C2CCCCC2)nn1.
What is the InChIKey of 1-(1-cyclohexyltriazol-4-yl)propan-1-amine?
The InChIKey is UKOQLEFUAGMXTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c1-2-10(12)11-8-15(14-13-11)9-6-4-3-5-7-9/h8-10H,2-7,12H2,1H3.
What are the key properties of 1-(1-cyclohexyltriazol-4-yl)propan-1-amine?
1-(1-cyclohexyltriazol-4-yl)propan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 2.19, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexyltriazol-4-yl)propan-1-amine is sourced from PubChem (CID 106227983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).