1-butoxybutane;1,3,5-triazine-2,4,6-triamine

C11H24N6O — CID 18927919

IUPAC1-butoxybutane;1,3,5-triazine-2,4,6-triamine
SMILESCCCCOCCCC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C8H18O.C3H6N6/c1-3-5-7-9-8-6-4-2;4-1-7-2(5)9-3(6)8-1/h3-8H2,1-2H3;(H6,4,5,6,7,8,9)
InChIKeyDAXZJJHDDZHZPA-UHFFFAOYSA-N
MW256.35 g/mol
LogP1.22
Rot. Bonds6

About 1-butoxybutane;1,3,5-triazine-2,4,6-triamine

1-butoxybutane;1,3,5-triazine-2,4,6-triamine (PubChem CID 18927919) has the molecular formula C11H24N6O and a molecular weight of 256.35 g/mol. Its IUPAC name is 1-butoxybutane;1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name1-butoxybutane;1,3,5-triazine-2,4,6-triamine
PubChem CID18927919
Molecular FormulaC11H24N6O
Molecular Weight256.35 g/mol
Exact Mass256.20
IUPAC Name1-butoxybutane;1,3,5-triazine-2,4,6-triamine
SMILESCCCCOCCCC.Nc1nc(N)nc(N)n1
InChIInChI=1S/C8H18O.C3H6N6/c1-3-5-7-9-8-6-4-2;4-1-7-2(5)9-3(6)8-1/h3-8H2,1-2H3;(H6,4,5,6,7,8,9)
InChIKeyDAXZJJHDDZHZPA-UHFFFAOYSA-N
XLogP1.22
TPSA125.96 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 51.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 1-butoxybutane;1,3,5-triazine-2,4,6-triamine with MolForge

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

Launch Full Analysis

Related Compounds

s-Triazine, 4,6-diamino-2-ethoxy-
CID 17802
6-Propoxy-1,3,5-triazine-2,4-diamine
CID 22729
s-Triazine, 4,6-diamino-2-hexoxy-
CID 32220
6-(1-Methylethoxy)-1,3,5-triazine-2,4-diamine
CID 32722
2,4-Diamino-6-butoxy-s-triazine
CID 32856
s-Triazine, 4,6-diamino-2-pentoxy-
CID 35117
s-Triazine, 4,6-diamino-2-isobutoxy-
CID 34083
s-Triazine, 2-sec-butoxy-4,6-diamino-
CID 119787
4,6-Bis(2-methylpropoxy)-1,3,5-triazin-2-amine
CID 172447454
2,4,6-Tributoxy-1,3,5-triazine
CID 29832
2,4,6-Tripropoxy-1,3,5-triazine
CID 34530
2-Amino-4-butoxy-6-methylamino-s-triazine
CID 459155

Frequently Asked Questions

What is the IUPAC name of 1-butoxybutane;1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 1-butoxybutane;1,3,5-triazine-2,4,6-triamine (CID 18927919) is 1-butoxybutane;1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 1-butoxybutane;1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 1-butoxybutane;1,3,5-triazine-2,4,6-triamine is CCCCOCCCC.Nc1nc(N)nc(N)n1.
What is the InChIKey of 1-butoxybutane;1,3,5-triazine-2,4,6-triamine?
The InChIKey is DAXZJJHDDZHZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18O.C3H6N6/c1-3-5-7-9-8-6-4-2;4-1-7-2(5)9-3(6)8-1/h3-8H2,1-2H3;(H6,4,5,6,7,8,9).
What are the key properties of 1-butoxybutane;1,3,5-triazine-2,4,6-triamine?
1-butoxybutane;1,3,5-triazine-2,4,6-triamine has a molecular weight of 256.35 g/mol, XLogP of 1.22, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butoxybutane;1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 18927919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).