4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine

C13H23N3S — CID 79112132

IUPAC4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine
SMILESCCc1csc(N(CC)C2CCC(N)CC2)n1
InChIInChI=1S/C13H23N3S/c1-3-11-9-17-13(15-11)16(4-2)12-7-5-10(14)6-8-12/h9-10,12H,3-8,14H2,1-2H3
InChIKeyQALUNPMVGHANAM-UHFFFAOYSA-N
MW253.41 g/mol
LogP2.80
Rot. Bonds4

About 4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine

4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine (PubChem CID 79112132) has the molecular formula C13H23N3S and a molecular weight of 253.41 g/mol. Its IUPAC name is 4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine
PubChem CID79112132
Molecular FormulaC13H23N3S
Molecular Weight253.41 g/mol
Exact Mass253.16
IUPAC Name4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine
SMILESCCc1csc(N(CC)C2CCC(N)CC2)n1
InChIInChI=1S/C13H23N3S/c1-3-11-9-17-13(15-11)16(4-2)12-7-5-10(14)6-8-12/h9-10,12H,3-8,14H2,1-2H3
InChIKeyQALUNPMVGHANAM-UHFFFAOYSA-N
XLogP2.80
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.41
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine?
The IUPAC name of 4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine (CID 79112132) is 4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine.
What is the SMILES notation for 4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine?
The canonical SMILES for 4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine is CCc1csc(N(CC)C2CCC(N)CC2)n1.
What is the InChIKey of 4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine?
The InChIKey is QALUNPMVGHANAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3S/c1-3-11-9-17-13(15-11)16(4-2)12-7-5-10(14)6-8-12/h9-10,12H,3-8,14H2,1-2H3.
What are the key properties of 4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine?
4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine has a molecular weight of 253.41 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-4-N-(4-ethyl-1,3-thiazol-2-yl)cyclohexane-1,4-diamine is sourced from PubChem (CID 79112132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).