1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine

C27H56N2 — CID 70555814

IUPAC1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCC(N)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H56N2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)24-22-26(2,3)29-27(4,5)23-24/h24-25,29H,6-23,28H2,1-5H3
InChIKeyNYFLDJNFLFOJLG-UHFFFAOYSA-N
MW408.76 g/mol
LogP8.13
Rot. Bonds17

About 1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine

1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine (PubChem CID 70555814) has the molecular formula C27H56N2 and a molecular weight of 408.76 g/mol. Its IUPAC name is 1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine.

Molecular Properties

Compound Name1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine
PubChem CID70555814
Molecular FormulaC27H56N2
Molecular Weight408.76 g/mol
Exact Mass408.44
IUPAC Name1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine
SMILESCCCCCCCCCCCCCCCCCC(N)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H56N2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)24-22-26(2,3)29-27(4,5)23-24/h24-25,29H,6-23,28H2,1-5H3
InChIKeyNYFLDJNFLFOJLG-UHFFFAOYSA-N
XLogP8.13
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds17
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500408.76
LogP ≤ 58.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,2-bis(2,2,6,6-tetramethylpiperidin-4-yl)decane-1,1-diol
CID 167575636
1-(4,4-dimethylcyclohexyl)octan-1-amine
CID 65391803
1-cyclobutylnonan-1-amine
CID 64986616
1-cycloheptylheptan-1-amine
CID 65399314
1-(2,2,3,3-tetramethylcyclopropyl)nonan-1-amine
CID 115835573
N-[1-(2,2,6,6-tetramethylpiperidin-4-yl)propyl]tetradecan-1-amine
CID 141405749
1-(4-ethylcyclohexyl)undecan-1-amine
CID 65394557
1-(oxan-4-yl)heptan-1-amine
CID 65334749
1-(oxan-4-yl)tridecan-1-amine
CID 65334434
3-piperazin-1-yl-1-(2,2,6,6-tetramethylpiperidin-4-yl)propan-1-amine
CID 70539952
1-(2,2,3,3-tetramethylcyclopropyl)hexan-1-amine
CID 115837427
1-(thiolan-3-yl)octan-1-amine
CID 105124991

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine?
The IUPAC name of 1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine (CID 70555814) is 1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine.
What is the SMILES notation for 1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine?
The canonical SMILES for 1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine is CCCCCCCCCCCCCCCCCC(N)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine?
The InChIKey is NYFLDJNFLFOJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56N2/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-25(28)24-22-26(2,3)29-27(4,5)23-24/h24-25,29H,6-23,28H2,1-5H3.
What are the key properties of 1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine?
1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine has a molecular weight of 408.76 g/mol, XLogP of 8.13, 17 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,6,6-tetramethylpiperidin-4-yl)octadecan-1-amine is sourced from PubChem (CID 70555814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).