6-chloro-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine

C31H58ClN7 — CID 19736765

IUPAC6-chloro-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
SMILESCN1C(C)(C)CC(CCCCNc2nc(Cl)nc(NCCCCC3CC(C)(C)N(C)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C31H58ClN7/c1-28(2)19-23(20-29(3,4)38(28)9)15-11-13-17-33-26-35-25(32)36-27(37-26)34-18-14-12-16-24-21-30(5,6)39(10)31(7,8)22-24/h23-24H,11-22H2,1-10H3,(H2,33,34,35,36,37)
InChIKeyXDROZBTTWUCXSP-UHFFFAOYSA-N
MW564.31 g/mol
LogP7.49
Rot. Bonds12

About 6-chloro-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine

6-chloro-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (PubChem CID 19736765) has the molecular formula C31H58ClN7 and a molecular weight of 564.31 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
PubChem CID19736765
Molecular FormulaC31H58ClN7
Molecular Weight564.31 g/mol
Exact Mass563.44
IUPAC Name6-chloro-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
SMILESCN1C(C)(C)CC(CCCCNc2nc(Cl)nc(NCCCCC3CC(C)(C)N(C)C(C)(C)C3)n2)CC1(C)C
InChIInChI=1S/C31H58ClN7/c1-28(2)19-23(20-29(3,4)38(28)9)15-11-13-17-33-26-35-25(32)36-27(37-26)34-18-14-12-16-24-21-30(5,6)39(10)31(7,8)22-24/h23-24H,11-22H2,1-10H3,(H2,33,34,35,36,37)
InChIKeyXDROZBTTWUCXSP-UHFFFAOYSA-N
XLogP7.49
TPSA69.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500564.31
LogP ≤ 57.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine (CID 19736765) is 6-chloro-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is CN1C(C)(C)CC(CCCCNc2nc(Cl)nc(NCCCCC3CC(C)(C)N(C)C(C)(C)C3)n2)CC1(C)C.
What is the InChIKey of 6-chloro-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is XDROZBTTWUCXSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H58ClN7/c1-28(2)19-23(20-29(3,4)38(28)9)15-11-13-17-33-26-35-25(32)36-27(37-26)34-18-14-12-16-24-21-30(5,6)39(10)31(7,8)22-24/h23-24H,11-22H2,1-10H3,(H2,33,34,35,36,37).
What are the key properties of 6-chloro-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 564.31 g/mol, XLogP of 7.49, 12 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[4-(1,2,2,6,6-pentamethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 19736765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).