6-(azepan-1-yl)-2-N,4-N-di(butan-2-yl)-1,3,5-triazine-2,4-diamine

C17H32N6 — CID 3094336

IUPAC6-(azepan-1-yl)-2-N,4-N-di(butan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(C)Nc1nc(NC(C)CC)nc(N2CCCCCC2)n1
InChIInChI=1S/C17H32N6/c1-5-13(3)18-15-20-16(19-14(4)6-2)22-17(21-15)23-11-9-7-8-10-12-23/h13-14H,5-12H2,1-4H3,(H2,18,19,20,21,22)
InChIKeyPBTRYIYSYWNTIZ-UHFFFAOYSA-N
MW320.49 g/mol
LogP3.67
Rot. Bonds7

About 6-(azepan-1-yl)-2-N,4-N-di(butan-2-yl)-1,3,5-triazine-2,4-diamine

6-(azepan-1-yl)-2-N,4-N-di(butan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 3094336) has the molecular formula C17H32N6 and a molecular weight of 320.49 g/mol. Its IUPAC name is 6-(azepan-1-yl)-2-N,4-N-di(butan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(azepan-1-yl)-2-N,4-N-di(butan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID3094336
Molecular FormulaC17H32N6
Molecular Weight320.49 g/mol
Exact Mass320.27
IUPAC Name6-(azepan-1-yl)-2-N,4-N-di(butan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(C)Nc1nc(NC(C)CC)nc(N2CCCCCC2)n1
InChIInChI=1S/C17H32N6/c1-5-13(3)18-15-20-16(19-14(4)6-2)22-17(21-15)23-11-9-7-8-10-12-23/h13-14H,5-12H2,1-4H3,(H2,18,19,20,21,22)
InChIKeyPBTRYIYSYWNTIZ-UHFFFAOYSA-N
XLogP3.67
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.49
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(azepan-1-yl)-2-N,4-N-di(butan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(azepan-1-yl)-2-N,4-N-di(butan-2-yl)-1,3,5-triazine-2,4-diamine (CID 3094336) is 6-(azepan-1-yl)-2-N,4-N-di(butan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(azepan-1-yl)-2-N,4-N-di(butan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(azepan-1-yl)-2-N,4-N-di(butan-2-yl)-1,3,5-triazine-2,4-diamine is CCC(C)Nc1nc(NC(C)CC)nc(N2CCCCCC2)n1.
What is the InChIKey of 6-(azepan-1-yl)-2-N,4-N-di(butan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is PBTRYIYSYWNTIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N6/c1-5-13(3)18-15-20-16(19-14(4)6-2)22-17(21-15)23-11-9-7-8-10-12-23/h13-14H,5-12H2,1-4H3,(H2,18,19,20,21,22).
What are the key properties of 6-(azepan-1-yl)-2-N,4-N-di(butan-2-yl)-1,3,5-triazine-2,4-diamine?
6-(azepan-1-yl)-2-N,4-N-di(butan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 320.49 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(azepan-1-yl)-2-N,4-N-di(butan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3094336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).