N-[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazin-2-amine

C24H45N5O — CID 141005389

IUPACN-[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazin-2-amine
SMILESCCCCCCCCON1C(C)(C)CC(CCCCNc2ncncn2)CC1(C)C
InChIInChI=1S/C24H45N5O/c1-6-7-8-9-10-13-16-30-29-23(2,3)17-21(18-24(29,4)5)14-11-12-15-26-22-27-19-25-20-28-22/h19-21H,6-18H2,1-5H3,(H,25,26,27,28)
InChIKeyFSHFXNVZNMBWPO-UHFFFAOYSA-N
MW419.66 g/mol
LogP6.02
Rot. Bonds14

About N-[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazin-2-amine

N-[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazin-2-amine (PubChem CID 141005389) has the molecular formula C24H45N5O and a molecular weight of 419.66 g/mol. Its IUPAC name is N-[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound NameN-[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazin-2-amine
PubChem CID141005389
Molecular FormulaC24H45N5O
Molecular Weight419.66 g/mol
Exact Mass419.36
IUPAC NameN-[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazin-2-amine
SMILESCCCCCCCCON1C(C)(C)CC(CCCCNc2ncncn2)CC1(C)C
InChIInChI=1S/C24H45N5O/c1-6-7-8-9-10-13-16-30-29-23(2,3)17-21(18-24(29,4)5)14-11-12-15-26-22-27-19-25-20-28-22/h19-21H,6-18H2,1-5H3,(H,25,26,27,28)
InChIKeyFSHFXNVZNMBWPO-UHFFFAOYSA-N
XLogP6.02
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.66
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazin-2-amine with MolForge

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Related Compounds

3-[3-[[4,6-bis[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]propoxy]butan-2-ol
CID 19090185
6-isocyanato-4-N-[6-[[4-isocyanato-6-[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
CID 54369292
2-N,4-N-bis(methoxymethyl)-2-N,4-N-bis(1-octoxypiperidin-4-yl)-6-N-[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4,6-triamine
CID 57197309
2,2,6,6-tetramethyl-1-octoxypiperidin-4-ol
CID 11346683
2,2,6,6-tetramethyl-1-undecoxypiperidin-4-ol
CID 23159798
6-[[4,6-bis[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexanoic acid
CID 19090229
6-chloro-2-N,4-N-bis[4-(1-cyclohex-3-en-1-yloxy-2,2,6,6-tetramethylpiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
CID 87324802
ethane;1-hexoxy-2,2,6,6-tetramethylpiperidin-4-ol
CID 143602726
6-isocyanato-4-N-[6-[[4-isocyanato-6-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butylamino]-1,3,5-triazin-2-yl]amino]hexyl]-2-N-[1-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazine-2,4-diamine
CID 19090214
CID 11459117
CID 11459117
bis(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl) propanedioate;methane
CID 159199816
2-(2,2,6,6-tetramethyl-1-undecoxypiperidin-4-yl)phenol
CID 175160765

Frequently Asked Questions

What is the IUPAC name of N-[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazin-2-amine?
The IUPAC name of N-[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazin-2-amine (CID 141005389) is N-[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for N-[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazin-2-amine?
The canonical SMILES for N-[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazin-2-amine is CCCCCCCCON1C(C)(C)CC(CCCCNc2ncncn2)CC1(C)C.
What is the InChIKey of N-[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazin-2-amine?
The InChIKey is FSHFXNVZNMBWPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H45N5O/c1-6-7-8-9-10-13-16-30-29-23(2,3)17-21(18-24(29,4)5)14-11-12-15-26-22-27-19-25-20-28-22/h19-21H,6-18H2,1-5H3,(H,25,26,27,28).
What are the key properties of N-[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazin-2-amine?
N-[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazin-2-amine has a molecular weight of 419.66 g/mol, XLogP of 6.02, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(2,2,6,6-tetramethyl-1-octoxypiperidin-4-yl)butyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 141005389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).