4-ethyl-N,N-dimethyl-6-(3-methylpentyl)-1,3,5-triazin-2-amine

C13H24N4 — CID 123825772

IUPAC4-ethyl-N,N-dimethyl-6-(3-methylpentyl)-1,3,5-triazin-2-amine
SMILESCCc1nc(CCC(C)CC)nc(N(C)C)n1
InChIInChI=1S/C13H24N4/c1-6-10(3)8-9-12-14-11(7-2)15-13(16-12)17(4)5/h10H,6-9H2,1-5H3
InChIKeySPVKCFDIEGHIRX-UHFFFAOYSA-N
MW236.36 g/mol
LogP2.48
Rot. Bonds6

About 4-ethyl-N,N-dimethyl-6-(3-methylpentyl)-1,3,5-triazin-2-amine

4-ethyl-N,N-dimethyl-6-(3-methylpentyl)-1,3,5-triazin-2-amine (PubChem CID 123825772) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-ethyl-N,N-dimethyl-6-(3-methylpentyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-ethyl-N,N-dimethyl-6-(3-methylpentyl)-1,3,5-triazin-2-amine
PubChem CID123825772
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-ethyl-N,N-dimethyl-6-(3-methylpentyl)-1,3,5-triazin-2-amine
SMILESCCc1nc(CCC(C)CC)nc(N(C)C)n1
InChIInChI=1S/C13H24N4/c1-6-10(3)8-9-12-14-11(7-2)15-13(16-12)17(4)5/h10H,6-9H2,1-5H3
InChIKeySPVKCFDIEGHIRX-UHFFFAOYSA-N
XLogP2.48
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-N,N-dimethyl-6-(3-methylpentyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-ethyl-N,N-dimethyl-6-(3-methylpentyl)-1,3,5-triazin-2-amine (CID 123825772) is 4-ethyl-N,N-dimethyl-6-(3-methylpentyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-ethyl-N,N-dimethyl-6-(3-methylpentyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-ethyl-N,N-dimethyl-6-(3-methylpentyl)-1,3,5-triazin-2-amine is CCc1nc(CCC(C)CC)nc(N(C)C)n1.
What is the InChIKey of 4-ethyl-N,N-dimethyl-6-(3-methylpentyl)-1,3,5-triazin-2-amine?
The InChIKey is SPVKCFDIEGHIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-10(3)8-9-12-14-11(7-2)15-13(16-12)17(4)5/h10H,6-9H2,1-5H3.
What are the key properties of 4-ethyl-N,N-dimethyl-6-(3-methylpentyl)-1,3,5-triazin-2-amine?
4-ethyl-N,N-dimethyl-6-(3-methylpentyl)-1,3,5-triazin-2-amine has a molecular weight of 236.36 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-N,N-dimethyl-6-(3-methylpentyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 123825772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).