N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-4-methylcyclohexan-1-amine

C14H26N4S — CID 6489586

IUPACN-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-4-methylcyclohexan-1-amine
SMILESCCSc1nnc(CCNC2CCC(C)CC2)n1C
InChIInChI=1S/C14H26N4S/c1-4-19-14-17-16-13(18(14)3)9-10-15-12-7-5-11(2)6-8-12/h11-12,15H,4-10H2,1-3H3
InChIKeyDZIVILQPKKNGNM-UHFFFAOYSA-N
MW282.46 g/mol
LogP2.64
Rot. Bonds6

About N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-4-methylcyclohexan-1-amine

N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-4-methylcyclohexan-1-amine (PubChem CID 6489586) has the molecular formula C14H26N4S and a molecular weight of 282.46 g/mol. Its IUPAC name is N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-4-methylcyclohexan-1-amine.

Molecular Properties

Compound NameN-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-4-methylcyclohexan-1-amine
PubChem CID6489586
Molecular FormulaC14H26N4S
Molecular Weight282.46 g/mol
Exact Mass282.19
IUPAC NameN-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-4-methylcyclohexan-1-amine
SMILESCCSc1nnc(CCNC2CCC(C)CC2)n1C
InChIInChI=1S/C14H26N4S/c1-4-19-14-17-16-13(18(14)3)9-10-15-12-7-5-11(2)6-8-12/h11-12,15H,4-10H2,1-3H3
InChIKeyDZIVILQPKKNGNM-UHFFFAOYSA-N
XLogP2.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.46
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-4-methylcyclohexan-1-amine?
The IUPAC name of N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-4-methylcyclohexan-1-amine (CID 6489586) is N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-4-methylcyclohexan-1-amine.
What is the SMILES notation for N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-4-methylcyclohexan-1-amine?
The canonical SMILES for N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-4-methylcyclohexan-1-amine is CCSc1nnc(CCNC2CCC(C)CC2)n1C.
What is the InChIKey of N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-4-methylcyclohexan-1-amine?
The InChIKey is DZIVILQPKKNGNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4S/c1-4-19-14-17-16-13(18(14)3)9-10-15-12-7-5-11(2)6-8-12/h11-12,15H,4-10H2,1-3H3.
What are the key properties of N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-4-methylcyclohexan-1-amine?
N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-4-methylcyclohexan-1-amine has a molecular weight of 282.46 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-ethylsulfanyl-4-methyl-1,2,4-triazol-3-yl)ethyl]-4-methylcyclohexan-1-amine is sourced from PubChem (CID 6489586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).