N-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine

C49H100N2 — CID 151904860

IUPACN-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine
SMILESCCCCCCCCCCC1(CCCCCCCCCC)CC(NCCCC)CC(CCCCCCCCCC)(CCCCCCCCCC)N1
InChIInChI=1S/C49H100N2/c1-6-11-16-20-24-28-32-36-40-48(41-37-33-29-25-21-17-12-7-2)45-47(50-44-15-10-5)46-49(51-48,42-38-34-30-26-22-18-13-8-3)43-39-35-31-27-23-19-14-9-4/h47,50-51H,6-46H2,1-5H3
InChIKeySTNHWABTRPCVOO-UHFFFAOYSA-N
MW717.35 g/mol
LogP16.73
Rot. Bonds40

About N-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine

N-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine (PubChem CID 151904860) has the molecular formula C49H100N2 and a molecular weight of 717.35 g/mol. Its IUPAC name is N-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine.

Molecular Properties

Compound NameN-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine
PubChem CID151904860
Molecular FormulaC49H100N2
Molecular Weight717.35 g/mol
Exact Mass716.79
IUPAC NameN-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine
SMILESCCCCCCCCCCC1(CCCCCCCCCC)CC(NCCCC)CC(CCCCCCCCCC)(CCCCCCCCCC)N1
InChIInChI=1S/C49H100N2/c1-6-11-16-20-24-28-32-36-40-48(41-37-33-29-25-21-17-12-7-2)45-47(50-44-15-10-5)46-49(51-48,42-38-34-30-26-22-18-13-8-3)43-39-35-31-27-23-19-14-9-4/h47,50-51H,6-46H2,1-5H3
InChIKeySTNHWABTRPCVOO-UHFFFAOYSA-N
XLogP16.73
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds40
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500717.35
LogP ≤ 516.73
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

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
N-dodecyl-2,2,6,6-tetramethylpiperidin-4-amine;2,2,6,6-tetramethylpiperidin-4-one
CID 159184325
N,N'-bis(2,2,6,6-tetraethylpiperidin-4-yl)hexane-1,6-diamine;1,1-dibromoethane
CID 118091234
bis(2,2,6,6-tetrakis-decylpiperidin-4-yl) hexanedioate
CID 150982146
N-butyl-2,2,7,7-tetramethylazepan-4-amine
CID 138568123
3,3,5,5-tetramethyl-N-pentylcyclohexan-1-amine
CID 112681822
CID 101119102
CID 101119102
N-dodecyl-3-methylcyclobutan-1-amine
CID 113467183
N-dodecylcyclohexanamine
CID 3679395
CID 22982947
CID 22982947
N-butyl-1-hydroperoxy-2,2,6,6-tetramethylpiperidin-4-amine
CID 174683339

Frequently Asked Questions

What is the IUPAC name of N-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine?
The IUPAC name of N-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine (CID 151904860) is N-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine.
What is the SMILES notation for N-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine?
The canonical SMILES for N-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine is CCCCCCCCCCC1(CCCCCCCCCC)CC(NCCCC)CC(CCCCCCCCCC)(CCCCCCCCCC)N1.
What is the InChIKey of N-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine?
The InChIKey is STNHWABTRPCVOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C49H100N2/c1-6-11-16-20-24-28-32-36-40-48(41-37-33-29-25-21-17-12-7-2)45-47(50-44-15-10-5)46-49(51-48,42-38-34-30-26-22-18-13-8-3)43-39-35-31-27-23-19-14-9-4/h47,50-51H,6-46H2,1-5H3.
What are the key properties of N-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine?
N-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine has a molecular weight of 717.35 g/mol, XLogP of 16.73, 40 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2,2,6,6-tetrakis-decylpiperidin-4-amine is sourced from PubChem (CID 151904860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).