4-butan-2-yl-6-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine

C13H24N4 — CID 123175019

IUPAC4-butan-2-yl-6-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine
SMILESCCC(C)c1nc(N)nc(C(CC)C(C)C)n1
InChIInChI=1S/C13H24N4/c1-6-9(5)11-15-12(17-13(14)16-11)10(7-2)8(3)4/h8-10H,6-7H2,1-5H3,(H2,14,15,16,17)
InChIKeyCNJRFVOWEVBUHU-UHFFFAOYSA-N
MW236.36 g/mol
LogP3.12
Rot. Bonds5

About 4-butan-2-yl-6-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine

4-butan-2-yl-6-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine (PubChem CID 123175019) has the molecular formula C13H24N4 and a molecular weight of 236.36 g/mol. Its IUPAC name is 4-butan-2-yl-6-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-butan-2-yl-6-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine
PubChem CID123175019
Molecular FormulaC13H24N4
Molecular Weight236.36 g/mol
Exact Mass236.20
IUPAC Name4-butan-2-yl-6-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine
SMILESCCC(C)c1nc(N)nc(C(CC)C(C)C)n1
InChIInChI=1S/C13H24N4/c1-6-9(5)11-15-12(17-13(14)16-11)10(7-2)8(3)4/h8-10H,6-7H2,1-5H3,(H2,14,15,16,17)
InChIKeyCNJRFVOWEVBUHU-UHFFFAOYSA-N
XLogP3.12
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-6-(propan-2-yl)-1,3,5-triazin-2-amine
CID 45092657
Bis(propan-2-yl)-1,3,5-triazin-2-amine
CID 63869137
4,6-Di-t-butyl-1,3,5-triazin-2-amine
CID 63869153
1,3,5-Triazine-2,4-diamine, 6-(1-methylpropyl)-
CID 34917
6-Cyclohexyl-1,3,5-triazine-2,4-diamine
CID 91411
2,4-Dimethyl-6-(2-methylpropyl)-1,3,5-triazine
CID 35161
2-Chloro-4,6-bis(3-methylbutyl)-1,3,5-triazine
CID 135057235
4-Chloro-6-(1-fluoro-3-methylbutyl)-1,3,5-triazin-2-amine
CID 130657377
2-N,4-N-dimethyl-6-(2-methylpropyl)-1,3,5-triazine-2,4-diamine
CID 33420
6-(2-Methylpropyl)-1,3,5-triazine-2,4-diamine
CID 34916
4,6-Dicyclohexyl-1,3,5-triazin-2-amine
CID 15407131
6-(Cyclohexylmethyl)-1,3,5-triazine-2,4-diamine
CID 18366366

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-6-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-butan-2-yl-6-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine (CID 123175019) is 4-butan-2-yl-6-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-butan-2-yl-6-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-butan-2-yl-6-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine is CCC(C)c1nc(N)nc(C(CC)C(C)C)n1.
What is the InChIKey of 4-butan-2-yl-6-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is CNJRFVOWEVBUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4/c1-6-9(5)11-15-12(17-13(14)16-11)10(7-2)8(3)4/h8-10H,6-7H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 4-butan-2-yl-6-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine?
4-butan-2-yl-6-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 236.36 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-yl-6-(2-methylpentan-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 123175019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).