2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine

C11H24N8 — CID 118119736

IUPAC2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCNc1nc(NCCN)nc(NCCN)n1
InChIInChI=1S/C11H24N8/c1-2-3-6-14-9-17-10(15-7-4-12)19-11(18-9)16-8-5-13/h2-8,12-13H2,1H3,(H3,14,15,16,17,18,19)
InChIKeyWWXDXVDQBDLBSW-UHFFFAOYSA-N
MW268.37 g/mol
LogP-0.18
Rot. Bonds10

About 2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine

2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 118119736) has the molecular formula C11H24N8 and a molecular weight of 268.37 g/mol. Its IUPAC name is 2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine
PubChem CID118119736
Molecular FormulaC11H24N8
Molecular Weight268.37 g/mol
Exact Mass268.21
IUPAC Name2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCNc1nc(NCCN)nc(NCCN)n1
InChIInChI=1S/C11H24N8/c1-2-3-6-14-9-17-10(15-7-4-12)19-11(18-9)16-8-5-13/h2-8,12-13H2,1H3,(H3,14,15,16,17,18,19)
InChIKeyWWXDXVDQBDLBSW-UHFFFAOYSA-N
XLogP-0.18
TPSA126.80 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.37
LogP ≤ 5-0.18
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

2-N-butyl-1,3,5-triazine-2,4,6-triamine;pentane
CID 142941534
2-N-butyl-6-hydrazinyl-1,3,5-triazine-2,4-diamine
CID 25242682
2-N,4-N-didecyl-1,3,5-triazine-2,4,6-triamine
CID 68586329
N-butyl-4,6-dichloro-1,3,5-triazin-2-amine
CID 139203727
[[4-(hydroxymethylamino)-6-(octadecylamino)-1,3,5-triazin-2-yl]amino]methanol
CID 158284929
2-N-butyl-6-methoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80785433
N'-(5-hexyl-4-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 103278974
4-N-(2-aminoethyl)-2-N-[2-[[4-(2-aminoethylamino)-6-ethylsulfanyl-1,3,5-triazin-2-yl]amino]ethyl]-6-N-ethyl-1,3,5-triazine-2,4,6-triamine
CID 126546684
N-butyl-4,6-dimethoxypyrimidin-2-amine
CID 19737713
2-N,4-N,6-N-tris[3-[2-(2-dodecoxyethoxy)ethoxy]propyl]-1,3,5-triazine-2,4,6-triamine
CID 58841533
4-chloro-6-[2-[4-chloro-6-(pentylamino)-1,3,5-triazin-2-yl]hydrazinyl]-N-pentyl-1,3,5-triazin-2-amine
CID 134109285
4,6-dichloro-2-N-pentylpyrimidine-2,5-diamine
CID 87963058

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine (CID 118119736) is 2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine is CCCCNc1nc(NCCN)nc(NCCN)n1.
What is the InChIKey of 2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is WWXDXVDQBDLBSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H24N8/c1-2-3-6-14-9-17-10(15-7-4-12)19-11(18-9)16-8-5-13/h2-8,12-13H2,1H3,(H3,14,15,16,17,18,19).
What are the key properties of 2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine?
2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 268.37 g/mol, XLogP of -0.18, 10 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(2-aminoethyl)-6-N-butyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 118119736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).