1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylcyclohexan-1-amine

C15H28N4 — CID 55111378

IUPAC1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc(C(C)(C)C)nn2C)CC1
InChIInChI=1S/C15H28N4/c1-6-11-7-9-15(16,10-8-11)13-17-12(14(2,3)4)18-19(13)5/h11H,6-10,16H2,1-5H3
InChIKeyLZUXAVLLDUXPDW-UHFFFAOYSA-N
MW264.42 g/mol
LogP2.87
Rot. Bonds2

About 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylcyclohexan-1-amine

1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylcyclohexan-1-amine (PubChem CID 55111378) has the molecular formula C15H28N4 and a molecular weight of 264.42 g/mol. Its IUPAC name is 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylcyclohexan-1-amine
PubChem CID55111378
Molecular FormulaC15H28N4
Molecular Weight264.42 g/mol
Exact Mass264.23
IUPAC Name1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylcyclohexan-1-amine
SMILESCCC1CCC(N)(c2nc(C(C)(C)C)nn2C)CC1
InChIInChI=1S/C15H28N4/c1-6-11-7-9-15(16,10-8-11)13-17-12(14(2,3)4)18-19(13)5/h11H,6-10,16H2,1-5H3
InChIKeyLZUXAVLLDUXPDW-UHFFFAOYSA-N
XLogP2.87
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylcyclohexan-1-amine?
The IUPAC name of 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylcyclohexan-1-amine (CID 55111378) is 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylcyclohexan-1-amine.
What is the SMILES notation for 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylcyclohexan-1-amine?
The canonical SMILES for 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylcyclohexan-1-amine is CCC1CCC(N)(c2nc(C(C)(C)C)nn2C)CC1.
What is the InChIKey of 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylcyclohexan-1-amine?
The InChIKey is LZUXAVLLDUXPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4/c1-6-11-7-9-15(16,10-8-11)13-17-12(14(2,3)4)18-19(13)5/h11H,6-10,16H2,1-5H3.
What are the key properties of 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylcyclohexan-1-amine?
1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylcyclohexan-1-amine has a molecular weight of 264.42 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-2-methyl-1,2,4-triazol-3-yl)-4-ethylcyclohexan-1-amine is sourced from PubChem (CID 55111378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).