2-N-[6-(dimethylamino)hexyl]-4-N-hexyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine

C19H38N6 — CID 59132939

IUPAC2-N-[6-(dimethylamino)hexyl]-4-N-hexyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCNc1nc(C)nc(N(C)CCCCCCN(C)C)n1
InChIInChI=1S/C19H38N6/c1-6-7-8-11-14-20-18-21-17(2)22-19(23-18)25(5)16-13-10-9-12-15-24(3)4/h6-16H2,1-5H3,(H,20,21,22,23)
InChIKeyMPYOVDPPYCURCA-UHFFFAOYSA-N
MW350.56 g/mol
LogP3.73
Rot. Bonds14

About 2-N-[6-(dimethylamino)hexyl]-4-N-hexyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine

2-N-[6-(dimethylamino)hexyl]-4-N-hexyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 59132939) has the molecular formula C19H38N6 and a molecular weight of 350.56 g/mol. Its IUPAC name is 2-N-[6-(dimethylamino)hexyl]-4-N-hexyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[6-(dimethylamino)hexyl]-4-N-hexyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID59132939
Molecular FormulaC19H38N6
Molecular Weight350.56 g/mol
Exact Mass350.32
IUPAC Name2-N-[6-(dimethylamino)hexyl]-4-N-hexyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCCCCCCNc1nc(C)nc(N(C)CCCCCCN(C)C)n1
InChIInChI=1S/C19H38N6/c1-6-7-8-11-14-20-18-21-17(2)22-19(23-18)25(5)16-13-10-9-12-15-24(3)4/h6-16H2,1-5H3,(H,20,21,22,23)
InChIKeyMPYOVDPPYCURCA-UHFFFAOYSA-N
XLogP3.73
TPSA57.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.56
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N-[6-(dimethylamino)hexyl]-4-N-hexyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-[2-(dimethylamino)ethyl]-2-N,4-N,4-N-trimethyl-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80845861
4-N-[4-(dimethylamino)butyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80816587
4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80776969
2-N-[2-(dimethylamino)ethyl]-6-methyl-4-N-pentylpyrimidine-2,4-diamine
CID 112913006
4-N-butyl-6-N-[3-(dimethylamino)propyl]-4-N,2-dimethylpyrimidine-4,6-diamine
CID 112870573
4,6-dichloro-N-methyl-N-octadecyl-1,3,5-triazin-2-amine
CID 3103368
6-ethyl-2-N,4-N-dihexyl-2-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 159008981
6-chloro-2-N,4-N-dimethyl-2-N,4-N-dioctadecyl-1,3,5-triazine-2,4-diamine
CID 3681496
2-N,6-N-dibutyl-4-N-(4-ethoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 20760965
N-(4,6-dimethoxy-1,3,5-triazin-2-yl)-N',N'-dimethylbutane-1,4-diamine
CID 62862123
N,N-dimethyloctan-1-amine
CID 161279104
N,N-dimethylnonadecan-1-amine
CID 546994

Frequently Asked Questions

What is the IUPAC name of 2-N-[6-(dimethylamino)hexyl]-4-N-hexyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[6-(dimethylamino)hexyl]-4-N-hexyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine (CID 59132939) is 2-N-[6-(dimethylamino)hexyl]-4-N-hexyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[6-(dimethylamino)hexyl]-4-N-hexyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[6-(dimethylamino)hexyl]-4-N-hexyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine is CCCCCCNc1nc(C)nc(N(C)CCCCCCN(C)C)n1.
What is the InChIKey of 2-N-[6-(dimethylamino)hexyl]-4-N-hexyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is MPYOVDPPYCURCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N6/c1-6-7-8-11-14-20-18-21-17(2)22-19(23-18)25(5)16-13-10-9-12-15-24(3)4/h6-16H2,1-5H3,(H,20,21,22,23).
What are the key properties of 2-N-[6-(dimethylamino)hexyl]-4-N-hexyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine?
2-N-[6-(dimethylamino)hexyl]-4-N-hexyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 350.56 g/mol, XLogP of 3.73, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[6-(dimethylamino)hexyl]-4-N-hexyl-2-N,6-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 59132939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).