6-N-methyl-2-N-[1-(methylamino)hexan-3-yl]-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine

C14H27N7 — CID 147331831

IUPAC6-N-methyl-2-N-[1-(methylamino)hexan-3-yl]-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
SMILESC=CCNc1nc(NC)nc(NC(CCC)CCNC)n1
InChIInChI=1S/C14H27N7/c1-5-7-11(8-10-15-3)18-14-20-12(16-4)19-13(21-14)17-9-6-2/h6,11,15H,2,5,7-10H2,1,3-4H3,(H3,16,17,18,19,20,21)
InChIKeyDBUMGXGASREFPG-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.70
Rot. Bonds11

About 6-N-methyl-2-N-[1-(methylamino)hexan-3-yl]-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine

6-N-methyl-2-N-[1-(methylamino)hexan-3-yl]-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 147331831) has the molecular formula C14H27N7 and a molecular weight of 293.42 g/mol. Its IUPAC name is 6-N-methyl-2-N-[1-(methylamino)hexan-3-yl]-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-2-N-[1-(methylamino)hexan-3-yl]-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
PubChem CID147331831
Molecular FormulaC14H27N7
Molecular Weight293.42 g/mol
Exact Mass293.23
IUPAC Name6-N-methyl-2-N-[1-(methylamino)hexan-3-yl]-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine
SMILESC=CCNc1nc(NC)nc(NC(CCC)CCNC)n1
InChIInChI=1S/C14H27N7/c1-5-7-11(8-10-15-3)18-14-20-12(16-4)19-13(21-14)17-9-6-2/h6,11,15H,2,5,7-10H2,1,3-4H3,(H3,16,17,18,19,20,21)
InChIKeyDBUMGXGASREFPG-UHFFFAOYSA-N
XLogP1.70
TPSA86.79 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-2-N-[1-(methylamino)hexan-3-yl]-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-2-N-[1-(methylamino)hexan-3-yl]-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine (CID 147331831) is 6-N-methyl-2-N-[1-(methylamino)hexan-3-yl]-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-2-N-[1-(methylamino)hexan-3-yl]-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-2-N-[1-(methylamino)hexan-3-yl]-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine is C=CCNc1nc(NC)nc(NC(CCC)CCNC)n1.
What is the InChIKey of 6-N-methyl-2-N-[1-(methylamino)hexan-3-yl]-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DBUMGXGASREFPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N7/c1-5-7-11(8-10-15-3)18-14-20-12(16-4)19-13(21-14)17-9-6-2/h6,11,15H,2,5,7-10H2,1,3-4H3,(H3,16,17,18,19,20,21).
What are the key properties of 6-N-methyl-2-N-[1-(methylamino)hexan-3-yl]-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine?
6-N-methyl-2-N-[1-(methylamino)hexan-3-yl]-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 293.42 g/mol, XLogP of 1.70, 11 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-2-N-[1-(methylamino)hexan-3-yl]-4-N-prop-2-enyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 147331831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).