4-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylcyclohexan-1-amine

C12H23N5S — CID 62244219

IUPAC4-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCCC1CCC(N(C)Cc2nnsc2NN)CC1
InChIInChI=1S/C12H23N5S/c1-3-9-4-6-10(7-5-9)17(2)8-11-12(14-13)18-16-15-11/h9-10,14H,3-8,13H2,1-2H3
InChIKeyGXTMKEONWDYRSX-UHFFFAOYSA-N
MW269.42 g/mol
LogP2.22
Rot. Bonds5

About 4-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylcyclohexan-1-amine

4-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylcyclohexan-1-amine (PubChem CID 62244219) has the molecular formula C12H23N5S and a molecular weight of 269.42 g/mol. Its IUPAC name is 4-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylcyclohexan-1-amine.

Molecular Properties

Compound Name4-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylcyclohexan-1-amine
PubChem CID62244219
Molecular FormulaC12H23N5S
Molecular Weight269.42 g/mol
Exact Mass269.17
IUPAC Name4-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylcyclohexan-1-amine
SMILESCCC1CCC(N(C)Cc2nnsc2NN)CC1
InChIInChI=1S/C12H23N5S/c1-3-9-4-6-10(7-5-9)17(2)8-11-12(14-13)18-16-15-11/h9-10,14H,3-8,13H2,1-2H3
InChIKeyGXTMKEONWDYRSX-UHFFFAOYSA-N
XLogP2.22
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.42
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylpiperidin-4-amine
CID 62244769
N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N,1-dimethylpiperidin-4-amine
CID 62245370
4-[[cyclohexyl(methyl)amino]methyl]-N-methylthiadiazol-5-amine
CID 62183035
N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylethanamine
CID 62244626
4-[[methyl-(4-methylcyclohexyl)amino]methyl]thiadiazol-5-amine
CID 62209667
4-[[cyclopropyl(cyclopropylmethyl)amino]methyl]-N-ethylthiadiazol-5-amine
CID 64522833
4-ethyl-N-[(2-hydrazinyl-4-pyridinyl)methyl]-N-methylcyclohexan-1-amine
CID 55075272
N-ethyl-5-[[(4-ethylcyclohexyl)-methylamino]methyl]-1,3,4-thiadiazol-2-amine
CID 80607246
2-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]ethanol
CID 62245305
2-[[(4-ethylcyclohexyl)-methylamino]methyl]-3,5-dimethylpyridin-4-amine
CID 103182180
3-[[(4-ethylcyclohexyl)-methylamino]methyl]pyridine-2-carbothioamide
CID 62894960
3-[ethyl-[(5-hydrazinylthiadiazol-4-yl)methyl]amino]propanenitrile
CID 62244391

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylcyclohexan-1-amine?
The IUPAC name of 4-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylcyclohexan-1-amine (CID 62244219) is 4-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylcyclohexan-1-amine.
What is the SMILES notation for 4-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylcyclohexan-1-amine?
The canonical SMILES for 4-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylcyclohexan-1-amine is CCC1CCC(N(C)Cc2nnsc2NN)CC1.
What is the InChIKey of 4-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylcyclohexan-1-amine?
The InChIKey is GXTMKEONWDYRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5S/c1-3-9-4-6-10(7-5-9)17(2)8-11-12(14-13)18-16-15-11/h9-10,14H,3-8,13H2,1-2H3.
What are the key properties of 4-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylcyclohexan-1-amine?
4-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylcyclohexan-1-amine has a molecular weight of 269.42 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N-[(5-hydrazinylthiadiazol-4-yl)methyl]-N-methylcyclohexan-1-amine is sourced from PubChem (CID 62244219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).