2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

C13H23N5O — CID 80878030

IUPAC2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESC=CCCCOc1nc(NCCC)nc(N(C)C)n1
InChIInChI=1S/C13H23N5O/c1-5-7-8-10-19-13-16-11(14-9-6-2)15-12(17-13)18(3)4/h5H,1,6-10H2,2-4H3,(H,14,15,16,17)
InChIKeyYVCYEEMGTCGIMK-UHFFFAOYSA-N
MW265.36 g/mol
LogP2.10
Rot. Bonds9

About 2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (PubChem CID 80878030) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
PubChem CID80878030
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
SMILESC=CCCCOc1nc(NCCC)nc(N(C)C)n1
InChIInChI=1S/C13H23N5O/c1-5-7-8-10-19-13-16-11(14-9-6-2)15-12(17-13)18(3)4/h5H,1,6-10H2,2-4H3,(H,14,15,16,17)
InChIKeyYVCYEEMGTCGIMK-UHFFFAOYSA-N
XLogP2.10
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 52.10
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

2-N,2-N-diethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80870733
2-N,2-N-dimethyl-6-propoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80766033
3-[[4-(dimethylamino)-6-(propylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80867642
4-chloro-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80878028
2-N,2-N-dimethyl-4-N-propyl-6-(4,4,4-trifluorobutoxy)-1,3,5-triazine-2,4-diamine
CID 82782437
6-[2-(diethylamino)ethoxy]-2-N,2-N-dimethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80879311
4-but-3-enoxy-6-methoxy-N-propyl-1,3,5-triazin-2-amine
CID 80861162
6-butoxy-2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80865178
4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80870922
6-ethoxy-2-N-(3-methoxypropyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80824057
2-N,2-N-dimethyl-6-phenoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80869615
6-ethoxy-2-N-(2-methoxyethyl)-2-N-methyl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80795623

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine (CID 80878030) is 2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is C=CCCCOc1nc(NCCC)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
The InChIKey is YVCYEEMGTCGIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-5-7-8-10-19-13-16-11(14-9-6-2)15-12(17-13)18(3)4/h5H,1,6-10H2,2-4H3,(H,14,15,16,17).
What are the key properties of 2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine has a molecular weight of 265.36 g/mol, XLogP of 2.10, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dimethyl-6-pent-4-enoxy-4-N-propyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80878030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).