2-N-cyclohexyl-4-N,6-N-dihexyl-1,3,5-triazine-2,4,6-triamine

C21H40N6 — CID 21243169

IUPAC2-N-cyclohexyl-4-N,6-N-dihexyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCNc1nc(NCCCCCC)nc(NC2CCCCC2)n1
InChIInChI=1S/C21H40N6/c1-3-5-7-12-16-22-19-25-20(23-17-13-8-6-4-2)27-21(26-19)24-18-14-10-9-11-15-18/h18H,3-17H2,1-2H3,(H3,22,23,24,25,26,27)
InChIKeyNSXXHPWWTOOLGX-UHFFFAOYSA-N
MW376.59 g/mol
LogP5.60
Rot. Bonds14

About 2-N-cyclohexyl-4-N,6-N-dihexyl-1,3,5-triazine-2,4,6-triamine

2-N-cyclohexyl-4-N,6-N-dihexyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 21243169) has the molecular formula C21H40N6 and a molecular weight of 376.59 g/mol. Its IUPAC name is 2-N-cyclohexyl-4-N,6-N-dihexyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N-cyclohexyl-4-N,6-N-dihexyl-1,3,5-triazine-2,4,6-triamine
PubChem CID21243169
Molecular FormulaC21H40N6
Molecular Weight376.59 g/mol
Exact Mass376.33
IUPAC Name2-N-cyclohexyl-4-N,6-N-dihexyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCCCNc1nc(NCCCCCC)nc(NC2CCCCC2)n1
InChIInChI=1S/C21H40N6/c1-3-5-7-12-16-22-19-25-20(23-17-13-8-6-4-2)27-21(26-19)24-18-14-10-9-11-15-18/h18H,3-17H2,1-2H3,(H3,22,23,24,25,26,27)
InChIKeyNSXXHPWWTOOLGX-UHFFFAOYSA-N
XLogP5.60
TPSA74.76 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.59
LogP ≤ 55.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-N-cyclohexyl-4-N,6-N-dihexyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Launch Full Analysis

Related Compounds

6-Chloro-N-cyclohexyl-N'-ethyl-1,3,5-triazine-2,4-diamine
CID 158453
N-(tert-butyl)-N'-cyclohexyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 14651806
N-tert-Butyl-6-chloro-N'-cyclohexyl-[1,3,5]triazine-2,4-diamine
CID 535317
6-chloro-N4-cyclohexyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 779462
N-Octadecyl-1,3,5-triazine-2,4,6-triamine
CID 89073
4-(1-azepanyl)-N-cyclohexyl-6-methoxy-1,3,5-triazin-2-amine
CID 831355
6-(azepan-1-yl)-2-N,4-N-di(butan-2-yl)-1,3,5-triazine-2,4-diamine
CID 3094336
6-chloro-2-N-cyclohexyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 71727294
6-Chloro-N(2),N(4)-dicyclohexyl-1,3,5-triazine-2,4-diamine
CID 245174
s-Triazine, 2-amino-4-(cyclohexylamino)-6-(dimethylamino)-
CID 207596
N-Cyclohexyl-6-(cyclohexylimino)-4-methyl-1,6-dihydro-1,3,5-triazin-2-amine
CID 213566
N~2~-Cyclohexyl-N~4~-methyl-1,3,5-triazinane-2,4,6-triimine
CID 213573

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclohexyl-4-N,6-N-dihexyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N-cyclohexyl-4-N,6-N-dihexyl-1,3,5-triazine-2,4,6-triamine (CID 21243169) is 2-N-cyclohexyl-4-N,6-N-dihexyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N-cyclohexyl-4-N,6-N-dihexyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N-cyclohexyl-4-N,6-N-dihexyl-1,3,5-triazine-2,4,6-triamine is CCCCCCNc1nc(NCCCCCC)nc(NC2CCCCC2)n1.
What is the InChIKey of 2-N-cyclohexyl-4-N,6-N-dihexyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is NSXXHPWWTOOLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H40N6/c1-3-5-7-12-16-22-19-25-20(23-17-13-8-6-4-2)27-21(26-19)24-18-14-10-9-11-15-18/h18H,3-17H2,1-2H3,(H3,22,23,24,25,26,27).
What are the key properties of 2-N-cyclohexyl-4-N,6-N-dihexyl-1,3,5-triazine-2,4,6-triamine?
2-N-cyclohexyl-4-N,6-N-dihexyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 376.59 g/mol, XLogP of 5.60, 14 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclohexyl-4-N,6-N-dihexyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 21243169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).