6-N-methyl-6-N-(methylaminomethyl)-2-N,2-N,4-N,4-N-tetraoctyl-1,3,5-triazine-2,4,6-triamine

C38H77N7 — CID 59356287

IUPAC6-N-methyl-6-N-(methylaminomethyl)-2-N,2-N,4-N,4-N-tetraoctyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCN(CCCCCCCC)c1nc(N(C)CNC)nc(N(CCCCCCCC)CCCCCCCC)n1
InChIInChI=1S/C38H77N7/c1-7-11-15-19-23-27-31-44(32-28-24-20-16-12-8-2)37-40-36(43(6)35-39-5)41-38(42-37)45(33-29-25-21-17-13-9-3)34-30-26-22-18-14-10-4/h39H,7-35H2,1-6H3
InChIKeyRPHFFBWXGAGCPV-UHFFFAOYSA-N
MW632.08 g/mol
LogP10.54
Rot. Bonds33

About 6-N-methyl-6-N-(methylaminomethyl)-2-N,2-N,4-N,4-N-tetraoctyl-1,3,5-triazine-2,4,6-triamine

6-N-methyl-6-N-(methylaminomethyl)-2-N,2-N,4-N,4-N-tetraoctyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 59356287) has the molecular formula C38H77N7 and a molecular weight of 632.08 g/mol. Its IUPAC name is 6-N-methyl-6-N-(methylaminomethyl)-2-N,2-N,4-N,4-N-tetraoctyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-6-N-(methylaminomethyl)-2-N,2-N,4-N,4-N-tetraoctyl-1,3,5-triazine-2,4,6-triamine
PubChem CID59356287
Molecular FormulaC38H77N7
Molecular Weight632.08 g/mol
Exact Mass631.62
IUPAC Name6-N-methyl-6-N-(methylaminomethyl)-2-N,2-N,4-N,4-N-tetraoctyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCCCN(CCCCCCCC)c1nc(N(C)CNC)nc(N(CCCCCCCC)CCCCCCCC)n1
InChIInChI=1S/C38H77N7/c1-7-11-15-19-23-27-31-44(32-28-24-20-16-12-8-2)37-40-36(43(6)35-39-5)41-38(42-37)45(33-29-25-21-17-13-9-3)34-30-26-22-18-14-10-4/h39H,7-35H2,1-6H3
InChIKeyRPHFFBWXGAGCPV-UHFFFAOYSA-N
XLogP10.54
TPSA60.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds33
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500632.08
LogP ≤ 510.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 6-N-methyl-6-N-(methylaminomethyl)-2-N,2-N,4-N,4-N-tetraoctyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-butyl-2-N-(methylaminomethyl)-4-N-pentyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 59898335
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
6-chloro-2-N,2-N-dihexyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 604297
4,6-dichloro-N,N-dipentyl-1,3,5-triazin-2-amine
CID 178072208
2-N,2-N-dipentyl-1,3,5-triazine-2,4,6-triamine
CID 66899786
4,6-dichloro-N-methyl-N-octadecyl-1,3,5-triazin-2-amine
CID 3103368
4-N-butyl-2-N,2-N-diethyl-6-hydrazinyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80916617
N'-heptadecyl-N,N'-dimethylethane-1,2-diamine
CID 23574295
N,N'-dimethyl-N'-tetradecylbutane-1,4-diamine
CID 139950987
N'-heptyl-N,N'-dimethylethane-1,2-diamine
CID 43374401
N,N-dibutyl-4,6-dihydrazinyl-1,3,5-triazin-2-amine
CID 101056119

Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-6-N-(methylaminomethyl)-2-N,2-N,4-N,4-N-tetraoctyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-6-N-(methylaminomethyl)-2-N,2-N,4-N,4-N-tetraoctyl-1,3,5-triazine-2,4,6-triamine (CID 59356287) is 6-N-methyl-6-N-(methylaminomethyl)-2-N,2-N,4-N,4-N-tetraoctyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-6-N-(methylaminomethyl)-2-N,2-N,4-N,4-N-tetraoctyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-6-N-(methylaminomethyl)-2-N,2-N,4-N,4-N-tetraoctyl-1,3,5-triazine-2,4,6-triamine is CCCCCCCCN(CCCCCCCC)c1nc(N(C)CNC)nc(N(CCCCCCCC)CCCCCCCC)n1.
What is the InChIKey of 6-N-methyl-6-N-(methylaminomethyl)-2-N,2-N,4-N,4-N-tetraoctyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is RPHFFBWXGAGCPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H77N7/c1-7-11-15-19-23-27-31-44(32-28-24-20-16-12-8-2)37-40-36(43(6)35-39-5)41-38(42-37)45(33-29-25-21-17-13-9-3)34-30-26-22-18-14-10-4/h39H,7-35H2,1-6H3.
What are the key properties of 6-N-methyl-6-N-(methylaminomethyl)-2-N,2-N,4-N,4-N-tetraoctyl-1,3,5-triazine-2,4,6-triamine?
6-N-methyl-6-N-(methylaminomethyl)-2-N,2-N,4-N,4-N-tetraoctyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 632.08 g/mol, XLogP of 10.54, 33 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-(methylaminomethyl)-2-N,2-N,4-N,4-N-tetraoctyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 59356287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).