N-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one

C30H61N3O — CID 159184325

IUPACN-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C)N1.CCCCCCCCCCCCNC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H44N2.C9H17NO/c1-6-7-8-9-10-11-12-13-14-15-16-22-19-17-20(2,3)23-21(4,5)18-19;1-8(2)5-7(11)6-9(3,4)10-8/h19,22-23H,6-18H2,1-5H3;10H,5-6H2,1-4H3
InChIKeyKNHGQWNSLYBCMO-UHFFFAOYSA-N
MW479.84 g/mol
LogP7.30
Rot. Bonds12

About N-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one

N-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one (PubChem CID 159184325) has the molecular formula C30H61N3O and a molecular weight of 479.84 g/mol. Its IUPAC name is N-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one.

Molecular Properties

Compound NameN-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one
PubChem CID159184325
Molecular FormulaC30H61N3O
Molecular Weight479.84 g/mol
Exact Mass479.48
IUPAC NameN-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one
SMILESCC1(C)CC(=O)CC(C)(C)N1.CCCCCCCCCCCCNC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C21H44N2.C9H17NO/c1-6-7-8-9-10-11-12-13-14-15-16-22-19-17-20(2,3)23-21(4,5)18-19;1-8(2)5-7(11)6-9(3,4)10-8/h19,22-23H,6-18H2,1-5H3;10H,5-6H2,1-4H3
InChIKeyKNHGQWNSLYBCMO-UHFFFAOYSA-N
XLogP7.30
TPSA53.16 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.84
LogP ≤ 57.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;N-butyl-2,2,6,6-tetramethylpiperidin-4-amine
CID 68740612
N-hexyl-2,2,6,6-tetramethyl-1-(2,2,6,6-tetramethylpiperidin-4-yl)piperidin-4-amine
CID 173322725
1-N-heptyl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzene-1,4-dicarboxamide
CID 142858822
N-butyl-2,2,7,7-tetramethylazepan-4-amine
CID 138568123
N-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine
CID 151904860
CID 22982947
CID 22982947
CID 101119102
CID 101119102
bis(2,2,6,6-tetramethylpiperidin-4-yl) decanedioate;2,2,6,6-tetramethylpiperidin-4-one
CID 137378199
3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine
CID 112681822
4-N-butyl-2-N,4-N-bis(2,2,6,6-tetramethylpiperidin-4-yl)-2-N-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]-1,3,5-triazine-2,4-diamine;nitroxyl
CID 131730705
diformyl-(2,2,6,6-tetramethylpiperidin-4-yl)-[6-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]hexyl]azanium
CID 89494691
4-decoxy-2,2,6,6-tetramethylpiperidine
CID 141105994

Frequently Asked Questions

What is the IUPAC name of N-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one?
The IUPAC name of N-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one (CID 159184325) is N-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one.
What is the SMILES notation for N-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one?
The canonical SMILES for N-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one is CC1(C)CC(=O)CC(C)(C)N1.CCCCCCCCCCCCNC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one?
The InChIKey is KNHGQWNSLYBCMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N2.C9H17NO/c1-6-7-8-9-10-11-12-13-14-15-16-22-19-17-20(2,3)23-21(4,5)18-19;1-8(2)5-7(11)6-9(3,4)10-8/h19,22-23H,6-18H2,1-5H3;10H,5-6H2,1-4H3.
What are the key properties of N-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one?
N-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one has a molecular weight of 479.84 g/mol, XLogP of 7.30, 12 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one is sourced from PubChem (CID 159184325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).