2-N,2-N,4-trimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine

C11H22N4S — CID 43664083

IUPAC2-N,2-N,4-trimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine
SMILESCC(C)CC(CNCc1csnn1)N(C)C
InChIInChI=1S/C11H22N4S/c1-9(2)5-11(15(3)4)7-12-6-10-8-16-14-13-10/h8-9,11-12H,5-7H2,1-4H3
InChIKeyRYXYUAIPMZAKAE-UHFFFAOYSA-N
MW242.39 g/mol
LogP1.60
Rot. Bonds7

About 2-N,2-N,4-trimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine

2-N,2-N,4-trimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine (PubChem CID 43664083) has the molecular formula C11H22N4S and a molecular weight of 242.39 g/mol. Its IUPAC name is 2-N,2-N,4-trimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N,4-trimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine
PubChem CID43664083
Molecular FormulaC11H22N4S
Molecular Weight242.39 g/mol
Exact Mass242.16
IUPAC Name2-N,2-N,4-trimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine
SMILESCC(C)CC(CNCc1csnn1)N(C)C
InChIInChI=1S/C11H22N4S/c1-9(2)5-11(15(3)4)7-12-6-10-8-16-14-13-10/h8-9,11-12H,5-7H2,1-4H3
InChIKeyRYXYUAIPMZAKAE-UHFFFAOYSA-N
XLogP1.60
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-trimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine?
The IUPAC name of 2-N,2-N,4-trimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine (CID 43664083) is 2-N,2-N,4-trimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine.
What is the SMILES notation for 2-N,2-N,4-trimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine?
The canonical SMILES for 2-N,2-N,4-trimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine is CC(C)CC(CNCc1csnn1)N(C)C.
What is the InChIKey of 2-N,2-N,4-trimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine?
The InChIKey is RYXYUAIPMZAKAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4S/c1-9(2)5-11(15(3)4)7-12-6-10-8-16-14-13-10/h8-9,11-12H,5-7H2,1-4H3.
What are the key properties of 2-N,2-N,4-trimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine?
2-N,2-N,4-trimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine has a molecular weight of 242.39 g/mol, XLogP of 1.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-trimethyl-1-N-(thiadiazol-4-ylmethyl)pentane-1,2-diamine is sourced from PubChem (CID 43664083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).