4-butan-2-yl-6-cycloheptyl-1,3,5-triazin-2-amine

C14H24N4 — CID 63867923

IUPAC4-butan-2-yl-6-cycloheptyl-1,3,5-triazin-2-amine
SMILESCCC(C)c1nc(N)nc(C2CCCCCC2)n1
InChIInChI=1S/C14H24N4/c1-3-10(2)12-16-13(18-14(15)17-12)11-8-6-4-5-7-9-11/h10-11H,3-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyYBMVVJWOVDLFLK-UHFFFAOYSA-N
MW248.37 g/mol
LogP3.41
Rot. Bonds3

About 4-butan-2-yl-6-cycloheptyl-1,3,5-triazin-2-amine

4-butan-2-yl-6-cycloheptyl-1,3,5-triazin-2-amine (PubChem CID 63867923) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-butan-2-yl-6-cycloheptyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-butan-2-yl-6-cycloheptyl-1,3,5-triazin-2-amine
PubChem CID63867923
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-butan-2-yl-6-cycloheptyl-1,3,5-triazin-2-amine
SMILESCCC(C)c1nc(N)nc(C2CCCCCC2)n1
InChIInChI=1S/C14H24N4/c1-3-10(2)12-16-13(18-14(15)17-12)11-8-6-4-5-7-9-11/h10-11H,3-9H2,1-2H3,(H2,15,16,17,18)
InChIKeyYBMVVJWOVDLFLK-UHFFFAOYSA-N
XLogP3.41
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-Undecyl-1,3,5-triazine-2,4-diamine
CID 75673
6-Nonyl-1,3,5-triazine-2,4-diamine
CID 22209
6-Heptyl-1,3,5-triazine-2,4-diamine
CID 80121
1,3,5-Triazine-2,4-diamine, 6-decyl-
CID 122442
6-Cyclohexyl-1,3,5-triazine-2,4-diamine
CID 91411
6-Dodecyl-1,3,5-triazine-2,4-diamine
CID 3778626
4-Cycloheptyl-6-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 55252118
4-Cycloheptyl-6-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 79964959
4,6-Didodecyl-1,3,5-triazin-2-amine
CID 15255084
4,6-Dicyclohexyl-1,3,5-triazin-2-amine
CID 15407131
6-(Cyclohexylmethyl)-1,3,5-triazine-2,4-diamine
CID 18366366
6-(3-Methylbutyl)-1,3,5-triazine-2,4-diamine
CID 20330725

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-yl-6-cycloheptyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-butan-2-yl-6-cycloheptyl-1,3,5-triazin-2-amine (CID 63867923) is 4-butan-2-yl-6-cycloheptyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-butan-2-yl-6-cycloheptyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-butan-2-yl-6-cycloheptyl-1,3,5-triazin-2-amine is CCC(C)c1nc(N)nc(C2CCCCCC2)n1.
What is the InChIKey of 4-butan-2-yl-6-cycloheptyl-1,3,5-triazin-2-amine?
The InChIKey is YBMVVJWOVDLFLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-3-10(2)12-16-13(18-14(15)17-12)11-8-6-4-5-7-9-11/h10-11H,3-9H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 4-butan-2-yl-6-cycloheptyl-1,3,5-triazin-2-amine?
4-butan-2-yl-6-cycloheptyl-1,3,5-triazin-2-amine has a molecular weight of 248.37 g/mol, XLogP of 3.41, 3 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-cycloheptyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).