N'-ethyl-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2,2,4,6,6-hexamethylpiperidine

C38H79N5 — CID 161457537

IUPACN'-ethyl-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2,2,4,6,6-hexamethylpiperidine
SMILESCC1CC(C)(C)N(C)C(C)(C)C1.CCN(CCCCCCN(C)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H56N4.C11H23N/c1-11-31(23-20-26(6,7)29-27(8,9)21-23)17-15-13-12-14-16-30(10)22-18-24(2,3)28-25(4,5)19-22;1-9-7-10(2,3)12(6)11(4,5)8-9/h22-23,28-29H,11-21H2,1-10H3;9H,7-8H2,1-6H3
InChIKeyWBIXYTORCAMDDB-UHFFFAOYSA-N
MW606.09 g/mol
LogP8.32
Rot. Bonds10

About N'-ethyl-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2,2,4,6,6-hexamethylpiperidine

N'-ethyl-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2,2,4,6,6-hexamethylpiperidine (PubChem CID 161457537) has the molecular formula C38H79N5 and a molecular weight of 606.09 g/mol. Its IUPAC name is N'-ethyl-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2,2,4,6,6-hexamethylpiperidine.

Molecular Properties

Compound NameN'-ethyl-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2,2,4,6,6-hexamethylpiperidine
PubChem CID161457537
Molecular FormulaC38H79N5
Molecular Weight606.09 g/mol
Exact Mass605.63
IUPAC NameN'-ethyl-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2,2,4,6,6-hexamethylpiperidine
SMILESCC1CC(C)(C)N(C)C(C)(C)C1.CCN(CCCCCCN(C)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C27H56N4.C11H23N/c1-11-31(23-20-26(6,7)29-27(8,9)21-23)17-15-13-12-14-16-30(10)22-18-24(2,3)28-25(4,5)19-22;1-9-7-10(2,3)12(6)11(4,5)8-9/h22-23,28-29H,11-21H2,1-10H3;9H,7-8H2,1-6H3
InChIKeyWBIXYTORCAMDDB-UHFFFAOYSA-N
XLogP8.32
TPSA33.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.09
LogP ≤ 58.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N'-ethyl-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2,2,4,6,6-hexamethylpiperidine?
The IUPAC name of N'-ethyl-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2,2,4,6,6-hexamethylpiperidine (CID 161457537) is N'-ethyl-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2,2,4,6,6-hexamethylpiperidine.
What is the SMILES notation for N'-ethyl-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2,2,4,6,6-hexamethylpiperidine?
The canonical SMILES for N'-ethyl-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2,2,4,6,6-hexamethylpiperidine is CC1CC(C)(C)N(C)C(C)(C)C1.CCN(CCCCCCN(C)C1CC(C)(C)NC(C)(C)C1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N'-ethyl-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2,2,4,6,6-hexamethylpiperidine?
The InChIKey is WBIXYTORCAMDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H56N4.C11H23N/c1-11-31(23-20-26(6,7)29-27(8,9)21-23)17-15-13-12-14-16-30(10)22-18-24(2,3)28-25(4,5)19-22;1-9-7-10(2,3)12(6)11(4,5)8-9/h22-23,28-29H,11-21H2,1-10H3;9H,7-8H2,1-6H3.
What are the key properties of N'-ethyl-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2,2,4,6,6-hexamethylpiperidine?
N'-ethyl-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2,2,4,6,6-hexamethylpiperidine has a molecular weight of 606.09 g/mol, XLogP of 8.32, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-ethyl-N-methyl-N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)hexane-1,6-diamine;1,2,2,4,6,6-hexamethylpiperidine is sourced from PubChem (CID 161457537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).