N-[(3,4-dimethylcyclohexyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine

C15H27N3S — CID 105154525

IUPACN-[(3,4-dimethylcyclohexyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1snnc1C)C1CCC(C)C(C)C1
InChIInChI=1S/C15H27N3S/c1-5-8-16-14(15-12(4)17-18-19-15)13-7-6-10(2)11(3)9-13/h10-11,13-14,16H,5-9H2,1-4H3
InChIKeyZGZZRKIZBPEOIE-UHFFFAOYSA-N
MW281.47 g/mol
LogP3.96
Rot. Bonds5

About N-[(3,4-dimethylcyclohexyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine

N-[(3,4-dimethylcyclohexyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 105154525) has the molecular formula C15H27N3S and a molecular weight of 281.47 g/mol. Its IUPAC name is N-[(3,4-dimethylcyclohexyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylcyclohexyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
PubChem CID105154525
Molecular FormulaC15H27N3S
Molecular Weight281.47 g/mol
Exact Mass281.19
IUPAC NameN-[(3,4-dimethylcyclohexyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1snnc1C)C1CCC(C)C(C)C1
InChIInChI=1S/C15H27N3S/c1-5-8-16-14(15-12(4)17-18-19-15)13-7-6-10(2)11(3)9-13/h10-11,13-14,16H,5-9H2,1-4H3
InChIKeyZGZZRKIZBPEOIE-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.47
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethylcyclohexyl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105154526
N-[(4-methylthiadiazol-5-yl)-(oxan-3-yl)methyl]propan-1-amine
CID 107139063
N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 64740428
N-[(3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 104989307
N-[(3,4-dimethylcyclohexyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 104989448
N-[(3,4-dimethylcyclohexyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105154418
N-[(3,4-dimethylcyclohexyl)-(4-iodophenyl)methyl]propan-1-amine
CID 104989552
N-[(3,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 64740441
N-[(3,4-dimethylcyclohexyl)-(4-methylcyclohexyl)methyl]propan-1-amine
CID 64739449
N-[(4-ethylthiadiazol-5-yl)-(oxan-4-yl)methyl]propan-1-amine
CID 105147324
1-(4-methylthiadiazol-5-yl)-N-propylprop-2-yn-1-amine
CID 105158343
N-[cyclopropyl-(4-propylthiadiazol-5-yl)methyl]ethanamine
CID 105157142

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylcyclohexyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dimethylcyclohexyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine (CID 105154525) is N-[(3,4-dimethylcyclohexyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylcyclohexyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dimethylcyclohexyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine is CCCNC(c1snnc1C)C1CCC(C)C(C)C1.
What is the InChIKey of N-[(3,4-dimethylcyclohexyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is ZGZZRKIZBPEOIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3S/c1-5-8-16-14(15-12(4)17-18-19-15)13-7-6-10(2)11(3)9-13/h10-11,13-14,16H,5-9H2,1-4H3.
What are the key properties of N-[(3,4-dimethylcyclohexyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine?
N-[(3,4-dimethylcyclohexyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 281.47 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-dimethylcyclohexyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105154525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).