N-ethyl-4-(2-methylbutan-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine

C15H28N4S — CID 64619844

IUPACN-ethyl-4-(2-methylbutan-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine
SMILESCCNC1CCC(C(C)(C)CC)CC1Sc1ncn[nH]1
InChIInChI=1S/C15H28N4S/c1-5-15(3,4)11-7-8-12(16-6-2)13(9-11)20-14-17-10-18-19-14/h10-13,16H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyHTQWTGQPCGHXMJ-UHFFFAOYSA-N
MW296.48 g/mol
LogP3.48
Rot. Bonds6

About N-ethyl-4-(2-methylbutan-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine

N-ethyl-4-(2-methylbutan-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine (PubChem CID 64619844) has the molecular formula C15H28N4S and a molecular weight of 296.48 g/mol. Its IUPAC name is N-ethyl-4-(2-methylbutan-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methylbutan-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine
PubChem CID64619844
Molecular FormulaC15H28N4S
Molecular Weight296.48 g/mol
Exact Mass296.20
IUPAC NameN-ethyl-4-(2-methylbutan-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine
SMILESCCNC1CCC(C(C)(C)CC)CC1Sc1ncn[nH]1
InChIInChI=1S/C15H28N4S/c1-5-15(3,4)11-7-8-12(16-6-2)13(9-11)20-14-17-10-18-19-14/h10-13,16H,5-9H2,1-4H3,(H,17,18,19)
InChIKeyHTQWTGQPCGHXMJ-UHFFFAOYSA-N
XLogP3.48
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.48
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-ethyl-4-(2-methylbutan-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methylbutan-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine?
The IUPAC name of N-ethyl-4-(2-methylbutan-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine (CID 64619844) is N-ethyl-4-(2-methylbutan-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine.
What is the SMILES notation for N-ethyl-4-(2-methylbutan-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine?
The canonical SMILES for N-ethyl-4-(2-methylbutan-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine is CCNC1CCC(C(C)(C)CC)CC1Sc1ncn[nH]1.
What is the InChIKey of N-ethyl-4-(2-methylbutan-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine?
The InChIKey is HTQWTGQPCGHXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28N4S/c1-5-15(3,4)11-7-8-12(16-6-2)13(9-11)20-14-17-10-18-19-14/h10-13,16H,5-9H2,1-4H3,(H,17,18,19).
What are the key properties of N-ethyl-4-(2-methylbutan-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine?
N-ethyl-4-(2-methylbutan-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine has a molecular weight of 296.48 g/mol, XLogP of 3.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methylbutan-2-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)cyclohexan-1-amine is sourced from PubChem (CID 64619844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).