2,2,6,6-tetraethyl-N-[2-[2-[(2,2,6,6-tetraethylpiperidin-4-yl)amino]ethylsulfanyl]ethyl]piperidin-4-amine

C30H62N4S — CID 20511469

IUPAC2,2,6,6-tetraethyl-N-[2-[2-[(2,2,6,6-tetraethylpiperidin-4-yl)amino]ethylsulfanyl]ethyl]piperidin-4-amine
SMILESCCC1(CC)CC(NCCSCCNC2CC(CC)(CC)NC(CC)(CC)C2)CC(CC)(CC)N1
InChIInChI=1S/C30H62N4S/c1-9-27(10-2)21-25(22-28(11-3,12-4)33-27)31-17-19-35-20-18-32-26-23-29(13-5,14-6)34-30(15-7,16-8)24-26/h25-26,31-34H,9-24H2,1-8H3
InChIKeyKMOXMSIQPOCVIO-UHFFFAOYSA-N
MW510.92 g/mol
LogP6.64
Rot. Bonds16

About 2,2,6,6-tetraethyl-N-[2-[2-[(2,2,6,6-tetraethylpiperidin-4-yl)amino]ethylsulfanyl]ethyl]piperidin-4-amine

2,2,6,6-tetraethyl-N-[2-[2-[(2,2,6,6-tetraethylpiperidin-4-yl)amino]ethylsulfanyl]ethyl]piperidin-4-amine (PubChem CID 20511469) has the molecular formula C30H62N4S and a molecular weight of 510.92 g/mol. Its IUPAC name is 2,2,6,6-tetraethyl-N-[2-[2-[(2,2,6,6-tetraethylpiperidin-4-yl)amino]ethylsulfanyl]ethyl]piperidin-4-amine.

Molecular Properties

Compound Name2,2,6,6-tetraethyl-N-[2-[2-[(2,2,6,6-tetraethylpiperidin-4-yl)amino]ethylsulfanyl]ethyl]piperidin-4-amine
PubChem CID20511469
Molecular FormulaC30H62N4S
Molecular Weight510.92 g/mol
Exact Mass510.47
IUPAC Name2,2,6,6-tetraethyl-N-[2-[2-[(2,2,6,6-tetraethylpiperidin-4-yl)amino]ethylsulfanyl]ethyl]piperidin-4-amine
SMILESCCC1(CC)CC(NCCSCCNC2CC(CC)(CC)NC(CC)(CC)C2)CC(CC)(CC)N1
InChIInChI=1S/C30H62N4S/c1-9-27(10-2)21-25(22-28(11-3,12-4)33-27)31-17-19-35-20-18-32-26-23-29(13-5,14-6)34-30(15-7,16-8)24-26/h25-26,31-34H,9-24H2,1-8H3
InChIKeyKMOXMSIQPOCVIO-UHFFFAOYSA-N
XLogP6.64
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds16
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.92
LogP ≤ 56.64
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,2,6,6-tetraethyl-N-[2-[2-[(2,2,6,6-tetraethylpiperidin-4-yl)amino]ethylsulfanyl]ethyl]piperidin-4-amine with MolForge

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Related Compounds

N,N'-bis(3-methylsulfanylpropyl)-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine
CID 57595763
1-[1-(2-Methylpropyl)cyclohexyl]-4-[4-(2-methylpropyl)-4-piperazin-1-ylthian-3-yl]piperazine
CID 142267165
N-(5-methylundecan-5-yl)thian-4-amine
CID 146436758
4-(2,2,6,6-Tetramethylpiperidin-4-yl)thiomorpholine
CID 153987904
N,4-dimethyl-1-[4-[[1-(1-methylsulfanylethyl)piperidin-4-yl]amino]butan-2-yl]piperidin-4-amine
CID 156418597
argon;N-hexan-3-ylhexan-3-amine;2,3,5,6-tetraethyl-4-methylpiperidine;2,3,5,6-tetraethylthiomorpholine
CID 161120749
3-Propan-2-yl-5-[5-(6-propan-2-ylpiperidin-2-yl)hexan-2-yl]thiomorpholine
CID 166718417
1-[2-[(tert-butylamino)methyl]thian-4-yl]-2-methyl-N-(thian-4-ylmethyl)propan-2-amine
CID 166770550
2,2,6,6-tetramethyl-N-(thian-4-yl)piperidin-4-amine
CID 43394825
2,2,6,6-tetramethyl-N-(thian-3-yl)piperidin-4-amine
CID 55130057
2-methyl-N-[[1-(thiomorpholin-4-ylmethyl)cyclohexyl]methyl]propan-2-amine
CID 62261381
2-methyl-N-[[1-[(3-methylthiomorpholin-4-yl)methyl]cyclohexyl]methyl]propan-2-amine
CID 64053808

Frequently Asked Questions

What is the IUPAC name of 2,2,6,6-tetraethyl-N-[2-[2-[(2,2,6,6-tetraethylpiperidin-4-yl)amino]ethylsulfanyl]ethyl]piperidin-4-amine?
The IUPAC name of 2,2,6,6-tetraethyl-N-[2-[2-[(2,2,6,6-tetraethylpiperidin-4-yl)amino]ethylsulfanyl]ethyl]piperidin-4-amine (CID 20511469) is 2,2,6,6-tetraethyl-N-[2-[2-[(2,2,6,6-tetraethylpiperidin-4-yl)amino]ethylsulfanyl]ethyl]piperidin-4-amine.
What is the SMILES notation for 2,2,6,6-tetraethyl-N-[2-[2-[(2,2,6,6-tetraethylpiperidin-4-yl)amino]ethylsulfanyl]ethyl]piperidin-4-amine?
The canonical SMILES for 2,2,6,6-tetraethyl-N-[2-[2-[(2,2,6,6-tetraethylpiperidin-4-yl)amino]ethylsulfanyl]ethyl]piperidin-4-amine is CCC1(CC)CC(NCCSCCNC2CC(CC)(CC)NC(CC)(CC)C2)CC(CC)(CC)N1.
What is the InChIKey of 2,2,6,6-tetraethyl-N-[2-[2-[(2,2,6,6-tetraethylpiperidin-4-yl)amino]ethylsulfanyl]ethyl]piperidin-4-amine?
The InChIKey is KMOXMSIQPOCVIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H62N4S/c1-9-27(10-2)21-25(22-28(11-3,12-4)33-27)31-17-19-35-20-18-32-26-23-29(13-5,14-6)34-30(15-7,16-8)24-26/h25-26,31-34H,9-24H2,1-8H3.
What are the key properties of 2,2,6,6-tetraethyl-N-[2-[2-[(2,2,6,6-tetraethylpiperidin-4-yl)amino]ethylsulfanyl]ethyl]piperidin-4-amine?
2,2,6,6-tetraethyl-N-[2-[2-[(2,2,6,6-tetraethylpiperidin-4-yl)amino]ethylsulfanyl]ethyl]piperidin-4-amine has a molecular weight of 510.92 g/mol, XLogP of 6.64, 16 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,6,6-tetraethyl-N-[2-[2-[(2,2,6,6-tetraethylpiperidin-4-yl)amino]ethylsulfanyl]ethyl]piperidin-4-amine is sourced from PubChem (CID 20511469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).