N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-2-amine

C13H23N3S — CID 65209352

IUPACN-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1snnc1C1CCCCC1
InChIInChI=1S/C13H23N3S/c1-13(2,3)14-9-11-12(15-16-17-11)10-7-5-4-6-8-10/h10,14H,4-9H2,1-3H3
InChIKeyRGHLTXQBDTUBPB-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.47
Rot. Bonds3

About N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-2-amine

N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-2-amine (PubChem CID 65209352) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-2-amine
PubChem CID65209352
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-2-amine
SMILESCC(C)(C)NCc1snnc1C1CCCCC1
InChIInChI=1S/C13H23N3S/c1-13(2,3)14-9-11-12(15-16-17-11)10-7-5-4-6-8-10/h10,14H,4-9H2,1-3H3
InChIKeyRGHLTXQBDTUBPB-UHFFFAOYSA-N
XLogP3.47
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-2-amine (CID 65209352) is N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-2-amine is CC(C)(C)NCc1snnc1C1CCCCC1.
What is the InChIKey of N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is RGHLTXQBDTUBPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-13(2,3)14-9-11-12(15-16-17-11)10-7-5-4-6-8-10/h10,14H,4-9H2,1-3H3.
What are the key properties of N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-2-amine?
N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 253.41 g/mol, XLogP of 3.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 65209352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).