N-[4-[di(propan-2-yl)amino]butyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide

C20H41N3O — CID 150663725

IUPACN-[4-[di(propan-2-yl)amino]butyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide
SMILESCC(C)N(CCCCN(C=O)C1CC(C)(C)NC(C)(C)C1)C(C)C
InChIInChI=1S/C20H41N3O/c1-16(2)23(17(3)4)12-10-9-11-22(15-24)18-13-19(5,6)21-20(7,8)14-18/h15-18,21H,9-14H2,1-8H3
InChIKeyJEKMOAXZGWDBMY-UHFFFAOYSA-N
MW339.57 g/mol
LogP3.65
Rot. Bonds9

About N-[4-[di(propan-2-yl)amino]butyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide

N-[4-[di(propan-2-yl)amino]butyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide (PubChem CID 150663725) has the molecular formula C20H41N3O and a molecular weight of 339.57 g/mol. Its IUPAC name is N-[4-[di(propan-2-yl)amino]butyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide.

Molecular Properties

Compound NameN-[4-[di(propan-2-yl)amino]butyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide
PubChem CID150663725
Molecular FormulaC20H41N3O
Molecular Weight339.57 g/mol
Exact Mass339.32
IUPAC NameN-[4-[di(propan-2-yl)amino]butyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide
SMILESCC(C)N(CCCCN(C=O)C1CC(C)(C)NC(C)(C)C1)C(C)C
InChIInChI=1S/C20H41N3O/c1-16(2)23(17(3)4)12-10-9-11-22(15-24)18-13-19(5,6)21-20(7,8)14-18/h15-18,21H,9-14H2,1-8H3
InChIKeyJEKMOAXZGWDBMY-UHFFFAOYSA-N
XLogP3.65
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.57
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-[di(propan-2-yl)amino]butyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide?
The IUPAC name of N-[4-[di(propan-2-yl)amino]butyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide (CID 150663725) is N-[4-[di(propan-2-yl)amino]butyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide.
What is the SMILES notation for N-[4-[di(propan-2-yl)amino]butyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide?
The canonical SMILES for N-[4-[di(propan-2-yl)amino]butyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide is CC(C)N(CCCCN(C=O)C1CC(C)(C)NC(C)(C)C1)C(C)C.
What is the InChIKey of N-[4-[di(propan-2-yl)amino]butyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide?
The InChIKey is JEKMOAXZGWDBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H41N3O/c1-16(2)23(17(3)4)12-10-9-11-22(15-24)18-13-19(5,6)21-20(7,8)14-18/h15-18,21H,9-14H2,1-8H3.
What are the key properties of N-[4-[di(propan-2-yl)amino]butyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide?
N-[4-[di(propan-2-yl)amino]butyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide has a molecular weight of 339.57 g/mol, XLogP of 3.65, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[di(propan-2-yl)amino]butyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)formamide is sourced from PubChem (CID 150663725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).