2-N,2-N-dibutyl-4-N,6-N-dicyclohexyl-1,3,5-triazine-2,4,6-triamine

C23H42N6 — CID 23295142

IUPAC2-N,2-N-dibutyl-4-N,6-N-dicyclohexyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(CCCC)c1nc(NC2CCCCC2)nc(NC2CCCCC2)n1
InChIInChI=1S/C23H42N6/c1-3-5-17-29(18-6-4-2)23-27-21(24-19-13-9-7-10-14-19)26-22(28-23)25-20-15-11-8-12-16-20/h19-20H,3-18H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyDFTNMYJMXVTWBO-UHFFFAOYSA-N
MW402.63 g/mol
LogP5.77
Rot. Bonds11

About 2-N,2-N-dibutyl-4-N,6-N-dicyclohexyl-1,3,5-triazine-2,4,6-triamine

2-N,2-N-dibutyl-4-N,6-N-dicyclohexyl-1,3,5-triazine-2,4,6-triamine (PubChem CID 23295142) has the molecular formula C23H42N6 and a molecular weight of 402.63 g/mol. Its IUPAC name is 2-N,2-N-dibutyl-4-N,6-N-dicyclohexyl-1,3,5-triazine-2,4,6-triamine.

Molecular Properties

Compound Name2-N,2-N-dibutyl-4-N,6-N-dicyclohexyl-1,3,5-triazine-2,4,6-triamine
PubChem CID23295142
Molecular FormulaC23H42N6
Molecular Weight402.63 g/mol
Exact Mass402.35
IUPAC Name2-N,2-N-dibutyl-4-N,6-N-dicyclohexyl-1,3,5-triazine-2,4,6-triamine
SMILESCCCCN(CCCC)c1nc(NC2CCCCC2)nc(NC2CCCCC2)n1
InChIInChI=1S/C23H42N6/c1-3-5-17-29(18-6-4-2)23-27-21(24-19-13-9-7-10-14-19)26-22(28-23)25-20-15-11-8-12-16-20/h19-20H,3-18H2,1-2H3,(H2,24,25,26,27,28)
InChIKeyDFTNMYJMXVTWBO-UHFFFAOYSA-N
XLogP5.77
TPSA65.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.63
LogP ≤ 55.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-N,2-N-dibutyl-4-N,6-N-dicyclohexyl-1,3,5-triazine-2,4,6-triamine with MolForge

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Related Compounds

6-Chloro-N-cyclohexyl-N'-ethyl-1,3,5-triazine-2,4-diamine
CID 158453
6-chloro-N4-cyclohexyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 779462
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
6-(azocan-1-yl)-4-N-cyclohexyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 44533866
N2,N4-diisopropyl-6-(1-piperidyl)-1,3,5-triazine-2,4-diamine
CID 7589310
N-Cyclohexyl-6-piperidin-1-yl-[1,3,5]triazine-2,4-diamine
CID 10683888

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dibutyl-4-N,6-N-dicyclohexyl-1,3,5-triazine-2,4,6-triamine?
The IUPAC name of 2-N,2-N-dibutyl-4-N,6-N-dicyclohexyl-1,3,5-triazine-2,4,6-triamine (CID 23295142) is 2-N,2-N-dibutyl-4-N,6-N-dicyclohexyl-1,3,5-triazine-2,4,6-triamine.
What is the SMILES notation for 2-N,2-N-dibutyl-4-N,6-N-dicyclohexyl-1,3,5-triazine-2,4,6-triamine?
The canonical SMILES for 2-N,2-N-dibutyl-4-N,6-N-dicyclohexyl-1,3,5-triazine-2,4,6-triamine is CCCCN(CCCC)c1nc(NC2CCCCC2)nc(NC2CCCCC2)n1.
What is the InChIKey of 2-N,2-N-dibutyl-4-N,6-N-dicyclohexyl-1,3,5-triazine-2,4,6-triamine?
The InChIKey is DFTNMYJMXVTWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H42N6/c1-3-5-17-29(18-6-4-2)23-27-21(24-19-13-9-7-10-14-19)26-22(28-23)25-20-15-11-8-12-16-20/h19-20H,3-18H2,1-2H3,(H2,24,25,26,27,28).
What are the key properties of 2-N,2-N-dibutyl-4-N,6-N-dicyclohexyl-1,3,5-triazine-2,4,6-triamine?
2-N,2-N-dibutyl-4-N,6-N-dicyclohexyl-1,3,5-triazine-2,4,6-triamine has a molecular weight of 402.63 g/mol, XLogP of 5.77, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dibutyl-4-N,6-N-dicyclohexyl-1,3,5-triazine-2,4,6-triamine is sourced from PubChem (CID 23295142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).