4-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine

C10H18N4S — CID 79115479

IUPAC4-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine
SMILESCc1nnc(N(C)C2CCC(N)CC2)s1
InChIInChI=1S/C10H18N4S/c1-7-12-13-10(15-7)14(2)9-5-3-8(11)4-6-9/h8-9H,3-6,11H2,1-2H3
InChIKeyPISSBEIRYBWOOJ-UHFFFAOYSA-N
MW226.35 g/mol
LogP1.55
Rot. Bonds2

About 4-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine

4-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine (PubChem CID 79115479) has the molecular formula C10H18N4S and a molecular weight of 226.35 g/mol. Its IUPAC name is 4-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine
PubChem CID79115479
Molecular FormulaC10H18N4S
Molecular Weight226.35 g/mol
Exact Mass226.13
IUPAC Name4-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine
SMILESCc1nnc(N(C)C2CCC(N)CC2)s1
InChIInChI=1S/C10H18N4S/c1-7-12-13-10(15-7)14(2)9-5-3-8(11)4-6-9/h8-9H,3-6,11H2,1-2H3
InChIKeyPISSBEIRYBWOOJ-UHFFFAOYSA-N
XLogP1.55
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.35
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine (CID 79115479) is 4-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine is Cc1nnc(N(C)C2CCC(N)CC2)s1.
What is the InChIKey of 4-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine?
The InChIKey is PISSBEIRYBWOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4S/c1-7-12-13-10(15-7)14(2)9-5-3-8(11)4-6-9/h8-9H,3-6,11H2,1-2H3.
What are the key properties of 4-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine?
4-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine has a molecular weight of 226.35 g/mol, XLogP of 1.55, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79115479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).