1-(2-ethylcyclohexyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine

C15H27N3S — CID 105151094

IUPAC1-(2-ethylcyclohexyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(NC)C1CCCCC1CC
InChIInChI=1S/C15H27N3S/c1-4-8-13-15(19-18-17-13)14(16-3)12-10-7-6-9-11(12)5-2/h11-12,14,16H,4-10H2,1-3H3
InChIKeyOPXTWBCATRDMRO-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.97
Rot. Bonds6

About 1-(2-ethylcyclohexyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine

1-(2-ethylcyclohexyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine (PubChem CID 105151094) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is 1-(2-ethylcyclohexyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine.

Molecular Properties

Compound Name1-(2-ethylcyclohexyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
PubChem CID105151094
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC Name1-(2-ethylcyclohexyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine
SMILESCCCc1nnsc1C(NC)C1CCCCC1CC
InChIInChI=1S/C15H27N3S/c1-4-8-13-15(19-18-17-13)14(16-3)12-10-7-6-9-11(12)5-2/h11-12,14,16H,4-10H2,1-3H3
InChIKeyOPXTWBCATRDMRO-UHFFFAOYSA-N
XLogP3.97
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-ethylcyclohexyl)-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105151122
1-cyclohexyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105079515
1-cyclopropyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105157139
N-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105157142
1-(2,6-dimethyl-4-pyridinyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 107503579
1-(3,4-dichlorophenyl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 81492344
1-(3,6-dimethylpyridazin-4-yl)-1-(2-ethylcyclohexyl)-N-methylmethanamine
CID 105151150
[(4-methylcyclohexyl)-(4-propylthiadiazol-5-yl)methyl]hydrazine
CID 105311794
2-cyclopentyl-1-(4-propylthiadiazol-5-yl)ethanol
CID 105090417
1-(2-ethylcyclohexyl)-1-N,2-N,2-N,2-tetramethylbutane-1,2-diamine
CID 79063279
1-(2-ethylcyclohexyl)-N,2,2-trimethylpropan-1-amine
CID 63863276
1-(2-ethylcyclohexyl)-N-methyl-1-(4,5,6,7-tetrahydro-1-benzothiophen-2-yl)methanamine
CID 115862831

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethylcyclohexyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine?
The IUPAC name of 1-(2-ethylcyclohexyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine (CID 105151094) is 1-(2-ethylcyclohexyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine.
What is the SMILES notation for 1-(2-ethylcyclohexyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine?
The canonical SMILES for 1-(2-ethylcyclohexyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine is CCCc1nnsc1C(NC)C1CCCCC1CC.
What is the InChIKey of 1-(2-ethylcyclohexyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine?
The InChIKey is OPXTWBCATRDMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-4-8-13-15(19-18-17-13)14(16-3)12-10-7-6-9-11(12)5-2/h11-12,14,16H,4-10H2,1-3H3.
What are the key properties of 1-(2-ethylcyclohexyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine?
1-(2-ethylcyclohexyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine has a molecular weight of 281.47 g/mol, XLogP of 3.97, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-ethylcyclohexyl)-N-methyl-1-(4-propylthiadiazol-5-yl)methanamine is sourced from PubChem (CID 105151094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).