N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine

C13H23N3S — CID 65209298

IUPACN-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1snnc1C1CCCCC1
InChIInChI=1S/C13H23N3S/c1-10(2)8-14-9-12-13(15-16-17-12)11-6-4-3-5-7-11/h10-11,14H,3-9H2,1-2H3
InChIKeyZIDOEQGPWIKYCQ-UHFFFAOYSA-N
MW253.41 g/mol
LogP3.33
Rot. Bonds5

About N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine

N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine (PubChem CID 65209298) 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-1-amine.

Molecular Properties

Compound NameN-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine
PubChem CID65209298
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC NameN-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine
SMILESCC(C)CNCc1snnc1C1CCCCC1
InChIInChI=1S/C13H23N3S/c1-10(2)8-14-9-12-13(15-16-17-12)11-6-4-3-5-7-11/h10-11,14H,3-9H2,1-2H3
InChIKeyZIDOEQGPWIKYCQ-UHFFFAOYSA-N
XLogP3.33
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 53.33
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-1-amine?
The IUPAC name of N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine (CID 65209298) is N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine is CC(C)CNCc1snnc1C1CCCCC1.
What is the InChIKey of N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine?
The InChIKey is ZIDOEQGPWIKYCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-10(2)8-14-9-12-13(15-16-17-12)11-6-4-3-5-7-11/h10-11,14H,3-9H2,1-2H3.
What are the key properties of N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine?
N-[(4-cyclohexylthiadiazol-5-yl)methyl]-2-methylpropan-1-amine has a molecular weight of 253.41 g/mol, XLogP of 3.33, 5 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-1-amine is sourced from PubChem (CID 65209298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).