2-tert-butyl-N-[2-(triazol-1-yl)ethyl]cyclohexan-1-amine

C14H26N4 — CID 113375242

IUPAC2-tert-butyl-N-[2-(triazol-1-yl)ethyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCCn1ccnn1
InChIInChI=1S/C14H26N4/c1-14(2,3)12-6-4-5-7-13(12)15-8-10-18-11-9-16-17-18/h9,11-13,15H,4-8,10H2,1-3H3
InChIKeyFYQIRHMHVBZBDA-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.47
Rot. Bonds4

About 2-tert-butyl-N-[2-(triazol-1-yl)ethyl]cyclohexan-1-amine

2-tert-butyl-N-[2-(triazol-1-yl)ethyl]cyclohexan-1-amine (PubChem CID 113375242) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-(triazol-1-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-tert-butyl-N-[2-(triazol-1-yl)ethyl]cyclohexan-1-amine
PubChem CID113375242
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name2-tert-butyl-N-[2-(triazol-1-yl)ethyl]cyclohexan-1-amine
SMILESCC(C)(C)C1CCCCC1NCCn1ccnn1
InChIInChI=1S/C14H26N4/c1-14(2,3)12-6-4-5-7-13(12)15-8-10-18-11-9-16-17-18/h9,11-13,15H,4-8,10H2,1-3H3
InChIKeyFYQIRHMHVBZBDA-UHFFFAOYSA-N
XLogP2.47
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(triazol-1-yl)ethyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 104443071
N-[2-(triazol-1-yl)ethyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104443076
N-[3-(triazol-1-yl)propyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 104443334
N-[3-(triazol-1-yl)propyl]-2-(trifluoromethyl)cyclohexan-1-amine
CID 104443799
N-[3-(triazol-1-yl)propyl]-4-(trifluoromethyl)cyclohexan-1-amine
CID 104443811
N-[2-(triazol-1-yl)ethyl]-3-(trifluoromethyl)cyclohexan-1-amine
CID 113412486
N-[(3,3-difluorocyclohexyl)methyl]-2-(triazol-1-yl)ethanamine
CID 114223918
1-(4-Propan-2-ylcyclohexyl)triazole
CID 58439729
1-(1-Cyclohexylethyl)triazole
CID 68709190
4-Cyclohexyl-4-(triazol-1-ylmethyl)piperidine
CID 69814615
[4-(Triazol-1-yl)cyclohexyl]methanamine
CID 84022333
2-Butyl-2-(triazol-1-yl)-5-azaspiro[2.4]heptane
CID 121304585

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-(triazol-1-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2-tert-butyl-N-[2-(triazol-1-yl)ethyl]cyclohexan-1-amine (CID 113375242) is 2-tert-butyl-N-[2-(triazol-1-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2-tert-butyl-N-[2-(triazol-1-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2-tert-butyl-N-[2-(triazol-1-yl)ethyl]cyclohexan-1-amine is CC(C)(C)C1CCCCC1NCCn1ccnn1.
What is the InChIKey of 2-tert-butyl-N-[2-(triazol-1-yl)ethyl]cyclohexan-1-amine?
The InChIKey is FYQIRHMHVBZBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-14(2,3)12-6-4-5-7-13(12)15-8-10-18-11-9-16-17-18/h9,11-13,15H,4-8,10H2,1-3H3.
What are the key properties of 2-tert-butyl-N-[2-(triazol-1-yl)ethyl]cyclohexan-1-amine?
2-tert-butyl-N-[2-(triazol-1-yl)ethyl]cyclohexan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-(triazol-1-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 113375242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).