4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2,3,3-trimethylcyclohexan-1-amine

C14H26N4 — CID 102630983

IUPAC4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2,3,3-trimethylcyclohexan-1-amine
SMILESCCn1c(C)nnc1C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C14H26N4/c1-6-18-10(3)16-17-13(18)11-7-8-12(15)9(2)14(11,4)5/h9,11-12H,6-8,15H2,1-5H3
InChIKeyJUGLKCINWOQPIJ-UHFFFAOYSA-N
MW250.39 g/mol
LogP2.47
Rot. Bonds2

About 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2,3,3-trimethylcyclohexan-1-amine

4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2,3,3-trimethylcyclohexan-1-amine (PubChem CID 102630983) has the molecular formula C14H26N4 and a molecular weight of 250.39 g/mol. Its IUPAC name is 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2,3,3-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2,3,3-trimethylcyclohexan-1-amine
PubChem CID102630983
Molecular FormulaC14H26N4
Molecular Weight250.39 g/mol
Exact Mass250.22
IUPAC Name4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2,3,3-trimethylcyclohexan-1-amine
SMILESCCn1c(C)nnc1C1CCC(N)C(C)C1(C)C
InChIInChI=1S/C14H26N4/c1-6-18-10(3)16-17-13(18)11-7-8-12(15)9(2)14(11,4)5/h9,11-12H,6-8,15H2,1-5H3
InChIKeyJUGLKCINWOQPIJ-UHFFFAOYSA-N
XLogP2.47
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2,3,3-trimethylcyclohexan-1-amine?
The IUPAC name of 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2,3,3-trimethylcyclohexan-1-amine (CID 102630983) is 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2,3,3-trimethylcyclohexan-1-amine.
What is the SMILES notation for 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2,3,3-trimethylcyclohexan-1-amine?
The canonical SMILES for 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2,3,3-trimethylcyclohexan-1-amine is CCn1c(C)nnc1C1CCC(N)C(C)C1(C)C.
What is the InChIKey of 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2,3,3-trimethylcyclohexan-1-amine?
The InChIKey is JUGLKCINWOQPIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4/c1-6-18-10(3)16-17-13(18)11-7-8-12(15)9(2)14(11,4)5/h9,11-12H,6-8,15H2,1-5H3.
What are the key properties of 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2,3,3-trimethylcyclohexan-1-amine?
4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2,3,3-trimethylcyclohexan-1-amine has a molecular weight of 250.39 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-5-methyl-1,2,4-triazol-3-yl)-2,3,3-trimethylcyclohexan-1-amine is sourced from PubChem (CID 102630983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).