N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine

C21H44N4 — CID 19031689

IUPACN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
SMILESCC1(C)CC(NCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C21H44N4/c1-18(2)12-16(13-19(3,4)24-18)22-10-9-11-23-17-14-20(5,6)25-21(7,8)15-17/h16-17,22-25H,9-15H2,1-8H3
InChIKeyNRPOJRPYRFOKFS-UHFFFAOYSA-N
MW352.61 g/mol
LogP3.17
Rot. Bonds6

About N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine

N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 19031689) has the molecular formula C21H44N4 and a molecular weight of 352.61 g/mol. Its IUPAC name is N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
PubChem CID19031689
Molecular FormulaC21H44N4
Molecular Weight352.61 g/mol
Exact Mass352.36
IUPAC NameN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
SMILESCC1(C)CC(NCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C21H44N4/c1-18(2)12-16(13-19(3,4)24-18)22-10-9-11-23-17-14-20(5,6)25-21(7,8)15-17/h16-17,22-25H,9-15H2,1-8H3
InChIKeyNRPOJRPYRFOKFS-UHFFFAOYSA-N
XLogP3.17
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.61
LogP ≤ 53.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine?
The IUPAC name of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine (CID 19031689) is N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine is CC1(C)CC(NCCCNC2CC(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)propane-1,3-diamine?
The InChIKey is NRPOJRPYRFOKFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N4/c1-18(2)12-16(13-19(3,4)24-18)22-10-9-11-23-17-14-20(5,6)25-21(7,8)15-17/h16-17,22-25H,9-15H2,1-8H3.
What are the key properties of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine?
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 352.61 g/mol, XLogP of 3.17, 6 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)propane-1,3-diamine is sourced from PubChem (CID 19031689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).