N-ethyl-4-hydrazinyl-N-(2-methylbutyl)-6-propoxy-1,3,5-triazin-2-amine

C13H26N6O — CID 80930026

IUPACN-ethyl-4-hydrazinyl-N-(2-methylbutyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(N(CC)CC(C)CC)n1
InChIInChI=1S/C13H26N6O/c1-5-8-20-13-16-11(18-14)15-12(17-13)19(7-3)9-10(4)6-2/h10H,5-9,14H2,1-4H3,(H,15,16,17,18)
InChIKeyXRDKFKIWOBESNR-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.82
Rot. Bonds9

About N-ethyl-4-hydrazinyl-N-(2-methylbutyl)-6-propoxy-1,3,5-triazin-2-amine

N-ethyl-4-hydrazinyl-N-(2-methylbutyl)-6-propoxy-1,3,5-triazin-2-amine (PubChem CID 80930026) has the molecular formula C13H26N6O and a molecular weight of 282.39 g/mol. Its IUPAC name is N-ethyl-4-hydrazinyl-N-(2-methylbutyl)-6-propoxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-hydrazinyl-N-(2-methylbutyl)-6-propoxy-1,3,5-triazin-2-amine
PubChem CID80930026
Molecular FormulaC13H26N6O
Molecular Weight282.39 g/mol
Exact Mass282.22
IUPAC NameN-ethyl-4-hydrazinyl-N-(2-methylbutyl)-6-propoxy-1,3,5-triazin-2-amine
SMILESCCCOc1nc(NN)nc(N(CC)CC(C)CC)n1
InChIInChI=1S/C13H26N6O/c1-5-8-20-13-16-11(18-14)15-12(17-13)19(7-3)9-10(4)6-2/h10H,5-9,14H2,1-4H3,(H,15,16,17,18)
InChIKeyXRDKFKIWOBESNR-UHFFFAOYSA-N
XLogP1.82
TPSA89.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-N,4-N-diethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80835269
2-N-ethyl-2-N-(2-methylbutyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80850266
[4-(3-methylbutoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80909820
4-butan-2-yloxy-N,N-diethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80917408
[4-(2-propan-2-yloxyethoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80911471
4-hydrazinyl-N-methyl-N-(1-methylsulfanylbutan-2-yl)-6-propoxy-1,3,5-triazin-2-amine
CID 115988847
[4-(4-methylpentoxy)-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80910606
N-(3-ethylpentan-2-yl)-4-hydrazinyl-6-propoxy-1,3,5-triazin-2-amine
CID 80911001
N,N-diethyl-4-hydrazinyl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 80922713
2-N-butyl-2-N,4-N-diethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80753958
2-N,4-N-diethyl-6-propoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80774045
N,N-diethyl-4-hydrazinyl-6-(2,2,2-trifluoroethoxy)-1,3,5-triazin-2-amine
CID 80910058

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-hydrazinyl-N-(2-methylbutyl)-6-propoxy-1,3,5-triazin-2-amine?
The IUPAC name of N-ethyl-4-hydrazinyl-N-(2-methylbutyl)-6-propoxy-1,3,5-triazin-2-amine (CID 80930026) is N-ethyl-4-hydrazinyl-N-(2-methylbutyl)-6-propoxy-1,3,5-triazin-2-amine.
What is the SMILES notation for N-ethyl-4-hydrazinyl-N-(2-methylbutyl)-6-propoxy-1,3,5-triazin-2-amine?
The canonical SMILES for N-ethyl-4-hydrazinyl-N-(2-methylbutyl)-6-propoxy-1,3,5-triazin-2-amine is CCCOc1nc(NN)nc(N(CC)CC(C)CC)n1.
What is the InChIKey of N-ethyl-4-hydrazinyl-N-(2-methylbutyl)-6-propoxy-1,3,5-triazin-2-amine?
The InChIKey is XRDKFKIWOBESNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O/c1-5-8-20-13-16-11(18-14)15-12(17-13)19(7-3)9-10(4)6-2/h10H,5-9,14H2,1-4H3,(H,15,16,17,18).
What are the key properties of N-ethyl-4-hydrazinyl-N-(2-methylbutyl)-6-propoxy-1,3,5-triazin-2-amine?
N-ethyl-4-hydrazinyl-N-(2-methylbutyl)-6-propoxy-1,3,5-triazin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 1.82, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-hydrazinyl-N-(2-methylbutyl)-6-propoxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 80930026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).