2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

C35H66N8 — CID 118030570

IUPAC2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1nc(N2CCCC2)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C35H66N8/c1-13-15-21-42(27-23-32(3,4)39(11)33(5,6)24-27)30-36-29(41-19-17-18-20-41)37-31(38-30)43(22-16-14-2)28-25-34(7,8)40(12)35(9,10)26-28/h27-28H,13-26H2,1-12H3
InChIKeyTWRXLSBOPJJNHZ-UHFFFAOYSA-N
MW598.97 g/mol
LogP6.99
Rot. Bonds11

About 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine

2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 118030570) has the molecular formula C35H66N8 and a molecular weight of 598.97 g/mol. Its IUPAC name is 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID118030570
Molecular FormulaC35H66N8
Molecular Weight598.97 g/mol
Exact Mass598.54
IUPAC Name2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCCCCN(c1nc(N2CCCC2)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1
InChIInChI=1S/C35H66N8/c1-13-15-21-42(27-23-32(3,4)39(11)33(5,6)24-27)30-36-29(41-19-17-18-20-41)37-31(38-30)43(22-16-14-2)28-25-34(7,8)40(12)35(9,10)26-28/h27-28H,13-26H2,1-12H3
InChIKeyTWRXLSBOPJJNHZ-UHFFFAOYSA-N
XLogP6.99
TPSA54.87 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500598.97
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2,9,11,13,14-Pentaazabicyclo[8.3.1]tetradeca-1(14),10,12-trien-12-amine, N-(1,1,3,3-tetramethylbutyl)-2,9-bis(2,2,6,6-tetramethyl-4-piperidinyl)-
CID 91982043
1,3,5-Triazine-2,4,6-triamine, N,N',N''-tributyl-N,N',N''-tris(2,2,6,6-tetramethyl-4-piperidinyl)-
CID 156239
2,4,6-Tris(n-butyl-N-1,2,2,6,6-pentamethyl-4-piperidylamino)-1,3,5-triazine
CID 22966881
2-Chloro-4,6-bis-(2,2,6,6-tetramethyl-4-piperidyl-butylamino)-1,3,5-triazine
CID 11114220
4-N,6-N-diethyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 14365133
4-N,6-N-dibutyl-2-N,2-N,4-N,6-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 14365134
6-N-methyl-6-N-octyl-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 14365138
6-N-dodecyl-6-N-methyl-2-N,2-N,4-N,4-N-tetrakis(1,2,2,6,6-pentamethylpiperidin-4-yl)-1,3,5-triazine-2,4,6-triamine
CID 14365140
6-chloro-2-N,4-N-diethyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
CID 14746197
2-Chloro-4,6-bis[N-methyl-N-(2,2,6,6-tetramethyl-4-piperidyl)amino]-1,3,5-triazine
CID 14746198
2-N,4-N-dioctyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-N-undecyl-1,3,5-triazine-2,4,6-triamine
CID 17764877
2-N,4-N-dioctyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-6-N-undecyl-1,3,5-triazine-2,4,6-triamine
CID 17788416

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine (CID 118030570) is 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is CCCCN(c1nc(N2CCCC2)nc(N(CCCC)C2CC(C)(C)N(C)C(C)(C)C2)n1)C1CC(C)(C)N(C)C(C)(C)C1.
What is the InChIKey of 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is TWRXLSBOPJJNHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H66N8/c1-13-15-21-42(27-23-32(3,4)39(11)33(5,6)24-27)30-36-29(41-19-17-18-20-41)37-31(38-30)43(22-16-14-2)28-25-34(7,8)40(12)35(9,10)26-28/h27-28H,13-26H2,1-12H3.
What are the key properties of 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine?
2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 598.97 g/mol, XLogP of 6.99, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dibutyl-2-N,4-N-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 118030570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).