N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine

C20H42N4 — CID 3017249

IUPACN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
SMILESCC1(C)CC(NCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C20H42N4/c1-17(2)11-15(12-18(3,4)23-17)21-9-10-22-16-13-19(5,6)24-20(7,8)14-16/h15-16,21-24H,9-14H2,1-8H3
InChIKeyOFXVCLLHEWMVEQ-UHFFFAOYSA-N
MW338.58 g/mol
LogP2.78
Rot. Bonds5

About N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine

N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine (PubChem CID 3017249) has the molecular formula C20H42N4 and a molecular weight of 338.58 g/mol. Its IUPAC name is N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
PubChem CID3017249
Molecular FormulaC20H42N4
Molecular Weight338.58 g/mol
Exact Mass338.34
IUPAC NameN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine
SMILESCC1(C)CC(NCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C20H42N4/c1-17(2)11-15(12-18(3,4)23-17)21-9-10-22-16-13-19(5,6)24-20(7,8)14-16/h15-16,21-24H,9-14H2,1-8H3
InChIKeyOFXVCLLHEWMVEQ-UHFFFAOYSA-N
XLogP2.78
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.58
LogP ≤ 52.78
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine?
The IUPAC name of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine (CID 3017249) is N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine.
What is the SMILES notation for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine?
The canonical SMILES for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine is CC1(C)CC(NCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine?
The InChIKey is OFXVCLLHEWMVEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H42N4/c1-17(2)11-15(12-18(3,4)23-17)21-9-10-22-16-13-19(5,6)24-20(7,8)14-16/h15-16,21-24H,9-14H2,1-8H3.
What are the key properties of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine?
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine has a molecular weight of 338.58 g/mol, XLogP of 2.78, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)ethane-1,2-diamine is sourced from PubChem (CID 3017249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).