N-ethyl-4-[(propan-2-ylideneamino)methoxy]-6-(propan-2-ylideneamino)oxy-N-propyl-1,3,5-triazin-2-amine

C15H26N6O2 — CID 144612026

IUPACN-ethyl-4-[(propan-2-ylideneamino)methoxy]-6-(propan-2-ylideneamino)oxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCN(CC)c1nc(OCN=C(C)C)nc(ON=C(C)C)n1
InChIInChI=1S/C15H26N6O2/c1-7-9-21(8-2)13-17-14(22-10-16-11(3)4)19-15(18-13)23-20-12(5)6/h7-10H2,1-6H3
InChIKeyYKVNRJPFSYVYNQ-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.70
Rot. Bonds9

About N-ethyl-4-[(propan-2-ylideneamino)methoxy]-6-(propan-2-ylideneamino)oxy-N-propyl-1,3,5-triazin-2-amine

N-ethyl-4-[(propan-2-ylideneamino)methoxy]-6-(propan-2-ylideneamino)oxy-N-propyl-1,3,5-triazin-2-amine (PubChem CID 144612026) has the molecular formula C15H26N6O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-ethyl-4-[(propan-2-ylideneamino)methoxy]-6-(propan-2-ylideneamino)oxy-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-[(propan-2-ylideneamino)methoxy]-6-(propan-2-ylideneamino)oxy-N-propyl-1,3,5-triazin-2-amine
PubChem CID144612026
Molecular FormulaC15H26N6O2
Molecular Weight322.41 g/mol
Exact Mass322.21
IUPAC NameN-ethyl-4-[(propan-2-ylideneamino)methoxy]-6-(propan-2-ylideneamino)oxy-N-propyl-1,3,5-triazin-2-amine
SMILESCCCN(CC)c1nc(OCN=C(C)C)nc(ON=C(C)C)n1
InChIInChI=1S/C15H26N6O2/c1-7-9-21(8-2)13-17-14(22-10-16-11(3)4)19-15(18-13)23-20-12(5)6/h7-10H2,1-6H3
InChIKeyYKVNRJPFSYVYNQ-UHFFFAOYSA-N
XLogP2.70
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-ethyl-4-[(propan-2-ylideneamino)methoxy]-6-(propan-2-ylideneamino)oxy-N-propyl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[(propan-2-ylideneamino)methoxy]-6-(propan-2-ylideneamino)oxy-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-[(propan-2-ylideneamino)methoxy]-6-(propan-2-ylideneamino)oxy-N-propyl-1,3,5-triazin-2-amine (CID 144612026) is N-ethyl-4-[(propan-2-ylideneamino)methoxy]-6-(propan-2-ylideneamino)oxy-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-[(propan-2-ylideneamino)methoxy]-6-(propan-2-ylideneamino)oxy-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-[(propan-2-ylideneamino)methoxy]-6-(propan-2-ylideneamino)oxy-N-propyl-1,3,5-triazin-2-amine is CCCN(CC)c1nc(OCN=C(C)C)nc(ON=C(C)C)n1.
What is the InChIKey of N-ethyl-4-[(propan-2-ylideneamino)methoxy]-6-(propan-2-ylideneamino)oxy-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is YKVNRJPFSYVYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N6O2/c1-7-9-21(8-2)13-17-14(22-10-16-11(3)4)19-15(18-13)23-20-12(5)6/h7-10H2,1-6H3.
What are the key properties of N-ethyl-4-[(propan-2-ylideneamino)methoxy]-6-(propan-2-ylideneamino)oxy-N-propyl-1,3,5-triazin-2-amine?
N-ethyl-4-[(propan-2-ylideneamino)methoxy]-6-(propan-2-ylideneamino)oxy-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 322.41 g/mol, XLogP of 2.70, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[(propan-2-ylideneamino)methoxy]-6-(propan-2-ylideneamino)oxy-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 144612026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).