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

C14H25N3S — CID 105154526

IUPACN-[(3,4-dimethylcyclohexyl)-(thiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnns1)C1CCC(C)C(C)C1
InChIInChI=1S/C14H25N3S/c1-4-7-15-14(13-9-16-17-18-13)12-6-5-10(2)11(3)8-12/h9-12,14-15H,4-8H2,1-3H3
InChIKeyNRXYMSKYFHFOEL-UHFFFAOYSA-N
MW267.44 g/mol
LogP3.65
Rot. Bonds5

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

N-[(3,4-dimethylcyclohexyl)-(thiadiazol-5-yl)methyl]propan-1-amine (PubChem CID 105154526) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[(3,4-dimethylcyclohexyl)-(thiadiazol-5-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(3,4-dimethylcyclohexyl)-(thiadiazol-5-yl)methyl]propan-1-amine
PubChem CID105154526
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[(3,4-dimethylcyclohexyl)-(thiadiazol-5-yl)methyl]propan-1-amine
SMILESCCCNC(c1cnns1)C1CCC(C)C(C)C1
InChIInChI=1S/C14H25N3S/c1-4-7-15-14(13-9-16-17-18-13)12-6-5-10(2)11(3)8-12/h9-12,14-15H,4-8H2,1-3H3
InChIKeyNRXYMSKYFHFOEL-UHFFFAOYSA-N
XLogP3.65
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,4-dimethylcyclohexyl)-(5-methylthiophen-2-yl)methyl]propan-1-amine
CID 104989307
N-[(3,4-dimethylcyclohexyl)-(4-methylthiadiazol-5-yl)methyl]propan-1-amine
CID 105154525
N-[(3,4-dimethylcyclohexyl)-(1,5-dimethylpyrazol-4-yl)methyl]propan-1-amine
CID 105154418
N-[1-oxaspiro[5.5]undecan-4-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105169854
N-[(3,4-dimethylcyclohexyl)-(4-methylphenyl)methyl]propan-1-amine
CID 64740428
N-[2,6-dioxaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105170342
N-[(3,4-dimethylcyclohexyl)-(4-iodophenyl)methyl]propan-1-amine
CID 104989552
N-[6-oxa-2-thiaspiro[4.5]decan-9-yl(thiadiazol-5-yl)methyl]propan-1-amine
CID 105170732
N-[(3,4-dimethylcyclohexyl)-(3,4-dimethylphenyl)methyl]propan-1-amine
CID 104989448
N-[(2,2,5,5-tetramethyloxolan-3-yl)-(thiadiazol-5-yl)methyl]propan-1-amine
CID 105189225
N-[oxan-4-yl(thiadiazol-5-yl)methyl]ethanamine
CID 105147184
N-[(3,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methyl]propan-1-amine
CID 64740441

Frequently Asked Questions

What is the IUPAC name of N-[(3,4-dimethylcyclohexyl)-(thiadiazol-5-yl)methyl]propan-1-amine?
The IUPAC name of N-[(3,4-dimethylcyclohexyl)-(thiadiazol-5-yl)methyl]propan-1-amine (CID 105154526) is N-[(3,4-dimethylcyclohexyl)-(thiadiazol-5-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(3,4-dimethylcyclohexyl)-(thiadiazol-5-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(3,4-dimethylcyclohexyl)-(thiadiazol-5-yl)methyl]propan-1-amine is CCCNC(c1cnns1)C1CCC(C)C(C)C1.
What is the InChIKey of N-[(3,4-dimethylcyclohexyl)-(thiadiazol-5-yl)methyl]propan-1-amine?
The InChIKey is NRXYMSKYFHFOEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-4-7-15-14(13-9-16-17-18-13)12-6-5-10(2)11(3)8-12/h9-12,14-15H,4-8H2,1-3H3.
What are the key properties of N-[(3,4-dimethylcyclohexyl)-(thiadiazol-5-yl)methyl]propan-1-amine?
N-[(3,4-dimethylcyclohexyl)-(thiadiazol-5-yl)methyl]propan-1-amine has a molecular weight of 267.44 g/mol, XLogP of 3.65, 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)-(thiadiazol-5-yl)methyl]propan-1-amine is sourced from PubChem (CID 105154526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).