3-ethyl-2-N,2-N-dimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine

C12H24N4S — CID 43664084

IUPAC3-ethyl-2-N,2-N-dimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine
SMILESCCC(CC)C(CNCc1csnn1)N(C)C
InChIInChI=1S/C12H24N4S/c1-5-10(6-2)12(16(3)4)8-13-7-11-9-17-15-14-11/h9-10,12-13H,5-8H2,1-4H3
InChIKeyFZUIWSBGXUODAY-UHFFFAOYSA-N
MW256.42 g/mol
LogP1.99
Rot. Bonds8

About 3-ethyl-2-N,2-N-dimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine

3-ethyl-2-N,2-N-dimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine (PubChem CID 43664084) has the molecular formula C12H24N4S and a molecular weight of 256.42 g/mol. Its IUPAC name is 3-ethyl-2-N,2-N-dimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name3-ethyl-2-N,2-N-dimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine
PubChem CID43664084
Molecular FormulaC12H24N4S
Molecular Weight256.42 g/mol
Exact Mass256.17
IUPAC Name3-ethyl-2-N,2-N-dimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine
SMILESCCC(CC)C(CNCc1csnn1)N(C)C
InChIInChI=1S/C12H24N4S/c1-5-10(6-2)12(16(3)4)8-13-7-11-9-17-15-14-11/h9-10,12-13H,5-8H2,1-4H3
InChIKeyFZUIWSBGXUODAY-UHFFFAOYSA-N
XLogP1.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.42
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 3-ethyl-2-N,2-N-dimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine (CID 43664084) is 3-ethyl-2-N,2-N-dimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 3-ethyl-2-N,2-N-dimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 3-ethyl-2-N,2-N-dimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine is CCC(CC)C(CNCc1csnn1)N(C)C.
What is the InChIKey of 3-ethyl-2-N,2-N-dimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine?
The InChIKey is FZUIWSBGXUODAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N4S/c1-5-10(6-2)12(16(3)4)8-13-7-11-9-17-15-14-11/h9-10,12-13H,5-8H2,1-4H3.
What are the key properties of 3-ethyl-2-N,2-N-dimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine?
3-ethyl-2-N,2-N-dimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine has a molecular weight of 256.42 g/mol, XLogP of 1.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-N,2-N-dimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 43664084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).