6-but-3-enoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine

C11H19N5O — CID 80861264

IUPAC6-but-3-enoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESC=CCCOc1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C11H19N5O/c1-4-7-8-17-11-14-9(12)13-10(15-11)16(5-2)6-3/h4H,1,5-8H2,2-3H3,(H2,12,13,14,15)
InChIKeyXACLJSCIHWIPOR-UHFFFAOYSA-N
MW237.31 g/mol
LogP1.25
Rot. Bonds7

About 6-but-3-enoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine

6-but-3-enoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80861264) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 6-but-3-enoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-but-3-enoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID80861264
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name6-but-3-enoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESC=CCCOc1nc(N)nc(N(CC)CC)n1
InChIInChI=1S/C11H19N5O/c1-4-7-8-17-11-14-9(12)13-10(15-11)16(5-2)6-3/h4H,1,5-8H2,2-3H3,(H2,12,13,14,15)
InChIKeyXACLJSCIHWIPOR-UHFFFAOYSA-N
XLogP1.25
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

6-(allyloxy)-N'-ethyl-N,N-dimethyl-1,3,5-triazine-2,4-diamine
CID 2055870
2,4-Bis(allylamino)-6-butoxy-s-triazine
CID 459157
1,3,5-Triazine, 2-allylamino-4-ethoxy-6-dimethylamino-
CID 602118
4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 23310878
4-N-methyl-6-prop-2-enoxy-2-N,2-N,4-N-tris(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 89303286
4-but-3-enoxy-6-chloro-N,N-diethyl-1,3,5-triazin-2-amine
CID 62869784
4-chloro-N,N-diethyl-6-pent-4-enoxy-1,3,5-triazin-2-amine
CID 79112951
2-N,2-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80766845
4-but-3-enoxy-6-piperidin-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 80844049
4-but-3-enoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
CID 80860968
4-but-3-enoxy-6-chloro-N-propyl-1,3,5-triazin-2-amine
CID 80861070
4-But-3-enoxy-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 80861072

Frequently Asked Questions

What is the IUPAC name of 6-but-3-enoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-but-3-enoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (CID 80861264) is 6-but-3-enoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-but-3-enoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-but-3-enoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is C=CCCOc1nc(N)nc(N(CC)CC)n1.
What is the InChIKey of 6-but-3-enoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is XACLJSCIHWIPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-4-7-8-17-11-14-9(12)13-10(15-11)16(5-2)6-3/h4H,1,5-8H2,2-3H3,(H2,12,13,14,15).
What are the key properties of 6-but-3-enoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
6-but-3-enoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 237.31 g/mol, XLogP of 1.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-3-enoxy-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80861264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).