6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine

C14H27N5O — CID 80865178

IUPAC6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCCOc1nc(NCCC)nc(N(CC)CC)n1
InChIInChI=1S/C14H27N5O/c1-5-9-11-20-14-17-12(15-10-6-2)16-13(18-14)19(7-3)8-4/h5-11H2,1-4H3,(H,15,16,17,18)
InChIKeyPDKBJIPBPPQLJX-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.72
Rot. Bonds10

About 6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine

6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80865178) has the molecular formula C14H27N5O and a molecular weight of 281.40 g/mol. Its IUPAC name is 6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80865178
Molecular FormulaC14H27N5O
Molecular Weight281.40 g/mol
Exact Mass281.22
IUPAC Name6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESCCCCOc1nc(NCCC)nc(N(CC)CC)n1
InChIInChI=1S/C14H27N5O/c1-5-9-11-20-14-17-12(15-10-6-2)16-13(18-14)19(7-3)8-4/h5-11H2,1-4H3,(H,15,16,17,18)
InChIKeyPDKBJIPBPPQLJX-UHFFFAOYSA-N
XLogP2.72
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-N,2-N-diethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80870733
6-ethoxy-2-N-ethyl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80774432
3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80867642
2-N-butyl-2-N,4-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80753958
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
6-[2-(diethylamino)ethoxy]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80879311
2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80878030
2-N,2-N-dimethyl-4-N-propyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
CID 82782437
6-[2-(dimethylamino)ethoxy]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 80871971
2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774045
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80867459
2-N-butan-2-yl-2-N-ethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80773091

Frequently Asked Questions

What is the IUPAC name of 6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80865178) is 6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine is CCCCOc1nc(NCCC)nc(N(CC)CC)n1.
What is the InChIKey of 6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is PDKBJIPBPPQLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5O/c1-5-9-11-20-14-17-12(15-10-6-2)16-13(18-14)19(7-3)8-4/h5-11H2,1-4H3,(H,15,16,17,18).
What are the key properties of 6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine?
6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 281.40 g/mol, XLogP of 2.72, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80865178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).