1-cycloheptyl-N-methyl-1-(thiadiazol-4-yl)methanamine

C11H19N3S — CID 105176237

IUPAC1-cycloheptyl-N-methyl-1-(thiadiazol-4-yl)methanamine
SMILESCNC(c1csnn1)C1CCCCCC1
InChIInChI=1S/C11H19N3S/c1-12-11(10-8-15-14-13-10)9-6-4-2-3-5-7-9/h8-9,11-12H,2-7H2,1H3
InChIKeySUMHBLFQTXKCAF-UHFFFAOYSA-N
MW225.36 g/mol
LogP2.77
Rot. Bonds3

About 1-cycloheptyl-N-methyl-1-(thiadiazol-4-yl)methanamine

1-cycloheptyl-N-methyl-1-(thiadiazol-4-yl)methanamine (PubChem CID 105176237) has the molecular formula C11H19N3S and a molecular weight of 225.36 g/mol. Its IUPAC name is 1-cycloheptyl-N-methyl-1-(thiadiazol-4-yl)methanamine.

Molecular Properties

Compound Name1-cycloheptyl-N-methyl-1-(thiadiazol-4-yl)methanamine
PubChem CID105176237
Molecular FormulaC11H19N3S
Molecular Weight225.36 g/mol
Exact Mass225.13
IUPAC Name1-cycloheptyl-N-methyl-1-(thiadiazol-4-yl)methanamine
SMILESCNC(c1csnn1)C1CCCCCC1
InChIInChI=1S/C11H19N3S/c1-12-11(10-8-15-14-13-10)9-6-4-2-3-5-7-9/h8-9,11-12H,2-7H2,1H3
InChIKeySUMHBLFQTXKCAF-UHFFFAOYSA-N
XLogP2.77
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.36
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cycloheptyl-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105176444
1-cycloheptyl-N-methyl-1-(2H-triazol-4-yl)methanamine
CID 82932214
1-cyclopentyl-N-methyl-1-(4-methylthiadiazol-5-yl)methanamine
CID 105080910
1-cyclohexyl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 63839255
1-cycloheptyl-N-methyl-1-(4-methyl-2-pyridinyl)methanamine
CID 82932487
1-cyclohexyl-1-(4-ethylthiadiazol-5-yl)-N-methylmethanamine
CID 105079515
1-cyclopentyl-N-methyl-1-(thiadiazol-5-yl)methanamine
CID 105081235
1-cyclopentyl-N-methyl-1-pyrazin-2-ylmethanamine
CID 60818557
1-cycloheptyl-N-methyl-1-(4-methylthiophen-3-yl)methanamine
CID 82932611
1-cycloheptyl-N-methyl-1-(5-methylthiophen-3-yl)methanamine
CID 65399489
1-cyclohexyl-1-(2,3-dihydrofuran-5-yl)-N-methylmethanamine
CID 102651300
1-(2-cyclobutylphenyl)-N-methyl-1-(thiadiazol-4-yl)methanamine
CID 105188804

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-N-methyl-1-(thiadiazol-4-yl)methanamine?
The IUPAC name of 1-cycloheptyl-N-methyl-1-(thiadiazol-4-yl)methanamine (CID 105176237) is 1-cycloheptyl-N-methyl-1-(thiadiazol-4-yl)methanamine.
What is the SMILES notation for 1-cycloheptyl-N-methyl-1-(thiadiazol-4-yl)methanamine?
The canonical SMILES for 1-cycloheptyl-N-methyl-1-(thiadiazol-4-yl)methanamine is CNC(c1csnn1)C1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-N-methyl-1-(thiadiazol-4-yl)methanamine?
The InChIKey is SUMHBLFQTXKCAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3S/c1-12-11(10-8-15-14-13-10)9-6-4-2-3-5-7-9/h8-9,11-12H,2-7H2,1H3.
What are the key properties of 1-cycloheptyl-N-methyl-1-(thiadiazol-4-yl)methanamine?
1-cycloheptyl-N-methyl-1-(thiadiazol-4-yl)methanamine has a molecular weight of 225.36 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-N-methyl-1-(thiadiazol-4-yl)methanamine is sourced from PubChem (CID 105176237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).