3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine

C12H23N3S — CID 105102816

IUPAC3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine
SMILESCCCCC(CC)CC(NC)c1cnsn1
InChIInChI=1S/C12H23N3S/c1-4-6-7-10(5-2)8-11(13-3)12-9-14-16-15-12/h9-11,13H,4-8H2,1-3H3
InChIKeyJZYKTJFAFMAUPN-UHFFFAOYSA-N
MW241.40 g/mol
LogP3.41
Rot. Bonds8

About 3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine

3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine (PubChem CID 105102816) has the molecular formula C12H23N3S and a molecular weight of 241.40 g/mol. Its IUPAC name is 3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine.

Molecular Properties

Compound Name3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine
PubChem CID105102816
Molecular FormulaC12H23N3S
Molecular Weight241.40 g/mol
Exact Mass241.16
IUPAC Name3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine
SMILESCCCCC(CC)CC(NC)c1cnsn1
InChIInChI=1S/C12H23N3S/c1-4-6-7-10(5-2)8-11(13-3)12-9-14-16-15-12/h9-11,13H,4-8H2,1-3H3
InChIKeyJZYKTJFAFMAUPN-UHFFFAOYSA-N
XLogP3.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.40
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,3-dimethyl-1-(1,2,5-thiadiazol-3-yl)butan-1-amine
CID 105082987
N-ethyl-1-(1,2,5-thiadiazol-3-yl)undecan-1-amine
CID 105138214
1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105125486
3-ethyl-N-methyl-1-phenylheptan-1-amine
CID 63412711
5,5,5-trifluoro-N-methyl-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105174275
1-(2,6-dimethyl-3-pyridinyl)-3-ethyl-N-methylheptan-1-amine
CID 105102919
N-ethyl-1-(1,2,5-thiadiazol-3-yl)propan-1-amine
CID 105078883
N-methyl-3-methylidene-1-(1,2,5-thiadiazol-3-yl)pentan-1-amine
CID 105163885
3-ethyl-N-methyl-1-(2,4,6-trimethylphenyl)heptan-1-amine
CID 115805825
1-(4-chlorophenyl)-3-ethyl-N-methylheptan-1-amine
CID 55186033
1-(3-chloro-4-pyridinyl)-3-ethyl-N-methylheptan-1-amine
CID 105103285
1-(4,5-dimethylthiophen-2-yl)-3-ethyl-N-methylheptan-1-amine
CID 115806115

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine?
The IUPAC name of 3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine (CID 105102816) is 3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine.
What is the SMILES notation for 3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine?
The canonical SMILES for 3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine is CCCCC(CC)CC(NC)c1cnsn1.
What is the InChIKey of 3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine?
The InChIKey is JZYKTJFAFMAUPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3S/c1-4-6-7-10(5-2)8-11(13-3)12-9-14-16-15-12/h9-11,13H,4-8H2,1-3H3.
What are the key properties of 3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine?
3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine has a molecular weight of 241.40 g/mol, XLogP of 3.41, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-methyl-1-(1,2,5-thiadiazol-3-yl)heptan-1-amine is sourced from PubChem (CID 105102816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).