N'-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-[3-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propylamino]propyl]propane-1,3-diamine

C30H65N7 — CID 20551286

IUPACN'-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-[3-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propylamino]propyl]propane-1,3-diamine
SMILESCC1(C)CC(NCCCNCCCNCCCNCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C30H65N7/c1-27(2)21-25(22-28(3,4)36-27)34-19-11-17-32-15-9-13-31-14-10-16-33-18-12-20-35-26-23-29(5,6)37-30(7,8)24-26/h25-26,31-37H,9-24H2,1-8H3
InChIKeyOIMXVPDIRHKOIV-UHFFFAOYSA-N
MW523.90 g/mol
LogP3.11
Rot. Bonds18

About N'-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-[3-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propylamino]propyl]propane-1,3-diamine

N'-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-[3-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propylamino]propyl]propane-1,3-diamine (PubChem CID 20551286) has the molecular formula C30H65N7 and a molecular weight of 523.90 g/mol. Its IUPAC name is N'-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-[3-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propylamino]propyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-[3-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propylamino]propyl]propane-1,3-diamine
PubChem CID20551286
Molecular FormulaC30H65N7
Molecular Weight523.90 g/mol
Exact Mass523.53
IUPAC NameN'-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-[3-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propylamino]propyl]propane-1,3-diamine
SMILESCC1(C)CC(NCCCNCCCNCCCNCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C30H65N7/c1-27(2)21-25(22-28(3,4)36-27)34-19-11-17-32-15-9-13-31-14-10-16-33-18-12-20-35-26-23-29(5,6)37-30(7,8)24-26/h25-26,31-37H,9-24H2,1-8H3
InChIKeyOIMXVPDIRHKOIV-UHFFFAOYSA-N
XLogP3.11
TPSA84.21 Ų
H-Bond Donors7
H-Bond Acceptors7
Rotatable Bonds18
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.90
LogP ≤ 53.11
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 107

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'-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-[3-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propylamino]propyl]propane-1,3-diamine?
The IUPAC name of N'-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-[3-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propylamino]propyl]propane-1,3-diamine (CID 20551286) is N'-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-[3-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propylamino]propyl]propane-1,3-diamine.
What is the SMILES notation for N'-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-[3-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propylamino]propyl]propane-1,3-diamine?
The canonical SMILES for N'-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-[3-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propylamino]propyl]propane-1,3-diamine is CC1(C)CC(NCCCNCCCNCCCNCCCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of N'-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-[3-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propylamino]propyl]propane-1,3-diamine?
The InChIKey is OIMXVPDIRHKOIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H65N7/c1-27(2)21-25(22-28(3,4)36-27)34-19-11-17-32-15-9-13-31-14-10-16-33-18-12-20-35-26-23-29(5,6)37-30(7,8)24-26/h25-26,31-37H,9-24H2,1-8H3.
What are the key properties of N'-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-[3-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propylamino]propyl]propane-1,3-diamine?
N'-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-[3-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propylamino]propyl]propane-1,3-diamine has a molecular weight of 523.90 g/mol, XLogP of 3.11, 18 rotatable bonds, 7 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propyl]-N-[3-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]propylamino]propyl]propane-1,3-diamine is sourced from PubChem (CID 20551286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).