6-(1-cyclohexylethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine

C13H23N5 — CID 141023306

IUPAC6-(1-cyclohexylethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N)nc(C(C)C2CCCCC2)n1
InChIInChI=1S/C13H23N5/c1-3-15-13-17-11(16-12(14)18-13)9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyRVLSGPLZHBIIFQ-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.57
Rot. Bonds4

About 6-(1-cyclohexylethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine

6-(1-cyclohexylethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 141023306) has the molecular formula C13H23N5 and a molecular weight of 249.36 g/mol. Its IUPAC name is 6-(1-cyclohexylethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-cyclohexylethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID141023306
Molecular FormulaC13H23N5
Molecular Weight249.36 g/mol
Exact Mass249.20
IUPAC Name6-(1-cyclohexylethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(N)nc(C(C)C2CCCCC2)n1
InChIInChI=1S/C13H23N5/c1-3-15-13-17-11(16-12(14)18-13)9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyRVLSGPLZHBIIFQ-UHFFFAOYSA-N
XLogP2.57
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclohexylethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-cyclohexylethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine (CID 141023306) is 6-(1-cyclohexylethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-cyclohexylethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-cyclohexylethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine is CCNc1nc(N)nc(C(C)C2CCCCC2)n1.
What is the InChIKey of 6-(1-cyclohexylethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is RVLSGPLZHBIIFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5/c1-3-15-13-17-11(16-12(14)18-13)9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 6-(1-cyclohexylethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine?
6-(1-cyclohexylethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 249.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-cyclohexylethyl)-2-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 141023306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).