2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine

C13H24N4 — CID 81321368

IUPAC2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1NCCc1ncn[nH]1
InChIInChI=1S/C13H24N4/c1-10-8-13(2,3)6-4-11(10)14-7-5-12-15-9-16-17-12/h9-11,14H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyZDOQLTHXWWACSR-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.15
Rot. Bonds4

About 2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine

2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine (PubChem CID 81321368) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine
PubChem CID81321368
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine
SMILESCC1CC(C)(C)CCC1NCCc1ncn[nH]1
InChIInChI=1S/C13H24N4/c1-10-8-13(2,3)6-4-11(10)14-7-5-12-15-9-16-17-12/h9-11,14H,4-8H2,1-3H3,(H,15,16,17)
InChIKeyZDOQLTHXWWACSR-UHFFFAOYSA-N
XLogP2.15
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine?
The IUPAC name of 2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine (CID 81321368) is 2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine.
What is the SMILES notation for 2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine?
The canonical SMILES for 2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine is CC1CC(C)(C)CCC1NCCc1ncn[nH]1.
What is the InChIKey of 2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine?
The InChIKey is ZDOQLTHXWWACSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-10-8-13(2,3)6-4-11(10)14-7-5-12-15-9-16-17-12/h9-11,14H,4-8H2,1-3H3,(H,15,16,17).
What are the key properties of 2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine?
2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine has a molecular weight of 236.36 g/mol, XLogP of 2.15, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,4-trimethyl-N-[2-(1H-1,2,4-triazol-5-yl)ethyl]cyclohexan-1-amine is sourced from PubChem (CID 81321368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).