6-chloro-2-N,4-N-bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

C25H46ClN7 — CID 88764566

IUPAC6-chloro-2-N,4-N-bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN1C(C)(C)CC(Nc2nc(Cl)nc(NC3CC(C)(C)N(CC)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C25H46ClN7/c1-11-32-22(3,4)13-17(14-23(32,5)6)27-20-29-19(26)30-21(31-20)28-18-15-24(7,8)33(12-2)25(9,10)16-18/h17-18H,11-16H2,1-10H3,(H2,27,28,29,30,31)
InChIKeySNJWKHLDRKLHAY-UHFFFAOYSA-N
MW480.15 g/mol
LogP5.43
Rot. Bonds6

About 6-chloro-2-N,4-N-bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,4-N-bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 88764566) has the molecular formula C25H46ClN7 and a molecular weight of 480.15 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID88764566
Molecular FormulaC25H46ClN7
Molecular Weight480.15 g/mol
Exact Mass479.35
IUPAC Name6-chloro-2-N,4-N-bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN1C(C)(C)CC(Nc2nc(Cl)nc(NC3CC(C)(C)N(CC)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C25H46ClN7/c1-11-32-22(3,4)13-17(14-23(32,5)6)27-20-29-19(26)30-21(31-20)28-18-15-24(7,8)33(12-2)25(9,10)16-18/h17-18H,11-16H2,1-10H3,(H2,27,28,29,30,31)
InChIKeySNJWKHLDRKLHAY-UHFFFAOYSA-N
XLogP5.43
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.15
LogP ≤ 55.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 88764566) is 6-chloro-2-N,4-N-bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CCN1C(C)(C)CC(Nc2nc(Cl)nc(NC3CC(C)(C)N(CC)C(C)(C)C3)n2)CC1(C)C.
What is the InChIKey of 6-chloro-2-N,4-N-bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SNJWKHLDRKLHAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H46ClN7/c1-11-32-22(3,4)13-17(14-23(32,5)6)27-20-29-19(26)30-21(31-20)28-18-15-24(7,8)33(12-2)25(9,10)16-18/h17-18H,11-16H2,1-10H3,(H2,27,28,29,30,31).
What are the key properties of 6-chloro-2-N,4-N-bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 480.15 g/mol, XLogP of 5.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis(1-ethyl-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 88764566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).