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

C33H58ClN7O2 — CID 19090191

IUPAC6-chloro-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(Nc2nc(Cl)nc(NC3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)CC(C)(C)N1OC1CCCCC1
InChIInChI=1S/C33H58ClN7O2/c1-30(2)19-23(20-31(3,4)40(30)42-25-15-11-9-12-16-25)35-28-37-27(34)38-29(39-28)36-24-21-32(5,6)41(33(7,8)22-24)43-26-17-13-10-14-18-26/h23-26H,9-22H2,1-8H3,(H2,35,36,37,38,39)
InChIKeyBBLYVXBNXJIIRX-UHFFFAOYSA-N
MW620.33 g/mol
LogP7.92
Rot. Bonds8

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

6-chloro-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 19090191) has the molecular formula C33H58ClN7O2 and a molecular weight of 620.33 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(1-cyclohexyloxy-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-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
PubChem CID19090191
Molecular FormulaC33H58ClN7O2
Molecular Weight620.33 g/mol
Exact Mass619.43
IUPAC Name6-chloro-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine
SMILESCC1(C)CC(Nc2nc(Cl)nc(NC3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)CC(C)(C)N1OC1CCCCC1
InChIInChI=1S/C33H58ClN7O2/c1-30(2)19-23(20-31(3,4)40(30)42-25-15-11-9-12-16-25)35-28-37-27(34)38-29(39-28)36-24-21-32(5,6)41(33(7,8)22-24)43-26-17-13-10-14-18-26/h23-26H,9-22H2,1-8H3,(H2,35,36,37,38,39)
InChIKeyBBLYVXBNXJIIRX-UHFFFAOYSA-N
XLogP7.92
TPSA87.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500620.33
LogP ≤ 57.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis(1-cyclohexyloxy-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-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine (CID 19090191) is 6-chloro-2-N,4-N-bis(1-cyclohexyloxy-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-cyclohexyloxy-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-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is CC1(C)CC(Nc2nc(Cl)nc(NC3CC(C)(C)N(OC4CCCCC4)C(C)(C)C3)n2)CC(C)(C)N1OC1CCCCC1.
What is the InChIKey of 6-chloro-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is BBLYVXBNXJIIRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H58ClN7O2/c1-30(2)19-23(20-31(3,4)40(30)42-25-15-11-9-12-16-25)35-28-37-27(34)38-29(39-28)36-24-21-32(5,6)41(33(7,8)22-24)43-26-17-13-10-14-18-26/h23-26H,9-22H2,1-8H3,(H2,35,36,37,38,39).
What are the key properties of 6-chloro-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 620.33 g/mol, XLogP of 7.92, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis(1-cyclohexyloxy-2,2,6,6-tetramethylpiperidin-4-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19090191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).