N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine

C14H26N4S — CID 56709396

IUPACN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine
SMILESCCSCC(C)NCc1nncn1C1CCCCC1
InChIInChI=1S/C14H26N4S/c1-3-19-10-12(2)15-9-14-17-16-11-18(14)13-7-5-4-6-8-13/h11-13,15H,3-10H2,1-2H3
InChIKeyPOHGTHVIJIKIJP-UHFFFAOYSA-N
MW282.46 g/mol
LogP3.01
Rot. Bonds7

About N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine

N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine (PubChem CID 56709396) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine
PubChem CID56709396
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine
SMILESCCSCC(C)NCc1nncn1C1CCCCC1
InChIInChI=1S/C14H26N4S/c1-3-19-10-12(2)15-9-14-17-16-11-18(14)13-7-5-4-6-8-13/h11-13,15H,3-10H2,1-2H3
InChIKeyPOHGTHVIJIKIJP-UHFFFAOYSA-N
XLogP3.01
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine?
The IUPAC name of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine (CID 56709396) is N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine.
What is the SMILES notation for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine?
The canonical SMILES for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine is CCSCC(C)NCc1nncn1C1CCCCC1.
What is the InChIKey of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine?
The InChIKey is POHGTHVIJIKIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-3-19-10-12(2)15-9-14-17-16-11-18(14)13-7-5-4-6-8-13/h11-13,15H,3-10H2,1-2H3.
What are the key properties of N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine?
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine has a molecular weight of 282.46 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]-1-ethylsulfanylpropan-2-amine is sourced from PubChem (CID 56709396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).