3-(5-cyclohexyltriazol-1-yl)propan-1-amine

C11H20N4 — CID 115026054

IUPAC3-(5-cyclohexyltriazol-1-yl)propan-1-amine
SMILESNCCCn1nncc1C1CCCCC1
InChIInChI=1S/C11H20N4/c12-7-4-8-15-11(9-13-14-15)10-5-2-1-3-6-10/h9-10H,1-8,12H2
InChIKeyAWGMCCOOIFPCDD-UHFFFAOYSA-N
MW208.31 g/mol
LogP1.67
Rot. Bonds4

About 3-(5-cyclohexyltriazol-1-yl)propan-1-amine

3-(5-cyclohexyltriazol-1-yl)propan-1-amine (PubChem CID 115026054) has the molecular formula C11H20N4 and a molecular weight of 208.31 g/mol. Its IUPAC name is 3-(5-cyclohexyltriazol-1-yl)propan-1-amine.

Molecular Properties

Compound Name3-(5-cyclohexyltriazol-1-yl)propan-1-amine
PubChem CID115026054
Molecular FormulaC11H20N4
Molecular Weight208.31 g/mol
Exact Mass208.17
IUPAC Name3-(5-cyclohexyltriazol-1-yl)propan-1-amine
SMILESNCCCn1nncc1C1CCCCC1
InChIInChI=1S/C11H20N4/c12-7-4-8-15-11(9-13-14-15)10-5-2-1-3-6-10/h9-10H,1-8,12H2
InChIKeyAWGMCCOOIFPCDD-UHFFFAOYSA-N
XLogP1.67
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

3-(5-cycloheptyltriazol-1-yl)propan-1-amine
CID 115033614
2-(5-cycloheptyltriazol-1-yl)ethanamine
CID 115026055
2-(5-cyclopentyltriazol-1-yl)ethanamine
CID 115015736
3-(5-cyclohexyltriazol-1-yl)propan-1-ol
CID 115026567
3-(5-cyclobutyltriazol-1-yl)propan-1-ol
CID 115015905
3-[3-(2-fluoroethyl)triazol-4-yl]piperidine
CID 84668324
2-[(5-cyclobutyltriazol-1-yl)methyl]piperidine
CID 115032296
2-(5-cyclopentylpyrazol-1-yl)ethanamine
CID 84768029
1-[3-(3-aminopropyl)triazol-4-yl]-2-methoxyethanone
CID 165451295
N-propyl-2-(3-propyltriazol-4-yl)cycloheptan-1-amine
CID 114690150
1-(3-aminopropyl)pyrazole-4,5-diamine
CID 22227390
3-[5-(3,4-difluorophenyl)triazol-1-yl]propan-1-amine
CID 82222589

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclohexyltriazol-1-yl)propan-1-amine?
The IUPAC name of 3-(5-cyclohexyltriazol-1-yl)propan-1-amine (CID 115026054) is 3-(5-cyclohexyltriazol-1-yl)propan-1-amine.
What is the SMILES notation for 3-(5-cyclohexyltriazol-1-yl)propan-1-amine?
The canonical SMILES for 3-(5-cyclohexyltriazol-1-yl)propan-1-amine is NCCCn1nncc1C1CCCCC1.
What is the InChIKey of 3-(5-cyclohexyltriazol-1-yl)propan-1-amine?
The InChIKey is AWGMCCOOIFPCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4/c12-7-4-8-15-11(9-13-14-15)10-5-2-1-3-6-10/h9-10H,1-8,12H2.
What are the key properties of 3-(5-cyclohexyltriazol-1-yl)propan-1-amine?
3-(5-cyclohexyltriazol-1-yl)propan-1-amine has a molecular weight of 208.31 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclohexyltriazol-1-yl)propan-1-amine is sourced from PubChem (CID 115026054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).