N,N-dibutyl-1,4-dihydro-1,3,5-triazin-2-amine

C11H22N4 — CID 54095368

IUPACN,N-dibutyl-1,4-dihydro-1,3,5-triazin-2-amine
SMILESCCCCN(CCCC)C1=NCN=CN1
InChIInChI=1S/C11H22N4/c1-3-5-7-15(8-6-4-2)11-13-9-12-10-14-11/h9H,3-8,10H2,1-2H3,(H,12,13,14)
InChIKeyMWSJVIXFHYOVNF-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.83
Rot. Bonds6

About N,N-dibutyl-1,4-dihydro-1,3,5-triazin-2-amine

N,N-dibutyl-1,4-dihydro-1,3,5-triazin-2-amine (PubChem CID 54095368) has the molecular formula C11H22N4 and a molecular weight of 210.32 g/mol. Its IUPAC name is N,N-dibutyl-1,4-dihydro-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN,N-dibutyl-1,4-dihydro-1,3,5-triazin-2-amine
PubChem CID54095368
Molecular FormulaC11H22N4
Molecular Weight210.32 g/mol
Exact Mass210.18
IUPAC NameN,N-dibutyl-1,4-dihydro-1,3,5-triazin-2-amine
SMILESCCCCN(CCCC)C1=NCN=CN1
InChIInChI=1S/C11H22N4/c1-3-5-7-15(8-6-4-2)11-13-9-12-10-14-11/h9H,3-8,10H2,1-2H3,(H,12,13,14)
InChIKeyMWSJVIXFHYOVNF-UHFFFAOYSA-N
XLogP1.83
TPSA39.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-dibutyl-1,4-dihydro-1,3,5-triazin-2-amine?
The IUPAC name of N,N-dibutyl-1,4-dihydro-1,3,5-triazin-2-amine (CID 54095368) is N,N-dibutyl-1,4-dihydro-1,3,5-triazin-2-amine.
What is the SMILES notation for N,N-dibutyl-1,4-dihydro-1,3,5-triazin-2-amine?
The canonical SMILES for N,N-dibutyl-1,4-dihydro-1,3,5-triazin-2-amine is CCCCN(CCCC)C1=NCN=CN1.
What is the InChIKey of N,N-dibutyl-1,4-dihydro-1,3,5-triazin-2-amine?
The InChIKey is MWSJVIXFHYOVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N4/c1-3-5-7-15(8-6-4-2)11-13-9-12-10-14-11/h9H,3-8,10H2,1-2H3,(H,12,13,14).
What are the key properties of N,N-dibutyl-1,4-dihydro-1,3,5-triazin-2-amine?
N,N-dibutyl-1,4-dihydro-1,3,5-triazin-2-amine has a molecular weight of 210.32 g/mol, XLogP of 1.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibutyl-1,4-dihydro-1,3,5-triazin-2-amine is sourced from PubChem (CID 54095368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).