N'-(2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diamine

C15H33N3 — CID 23196217

IUPACN'-(2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diamine
SMILESCC1(C)CCCC(C)(C)N1NCCCCCCN
InChIInChI=1S/C15H33N3/c1-14(2)10-9-11-15(3,4)18(14)17-13-8-6-5-7-12-16/h17H,5-13,16H2,1-4H3
InChIKeyQITVMFSGIKQAFH-UHFFFAOYSA-N
MW255.45 g/mol
LogP3.05
Rot. Bonds7

About N'-(2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diamine

N'-(2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diamine (PubChem CID 23196217) has the molecular formula C15H33N3 and a molecular weight of 255.45 g/mol. Its IUPAC name is N'-(2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diamine.

Molecular Properties

Compound NameN'-(2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diamine
PubChem CID23196217
Molecular FormulaC15H33N3
Molecular Weight255.45 g/mol
Exact Mass255.27
IUPAC NameN'-(2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diamine
SMILESCC1(C)CCCC(C)(C)N1NCCCCCCN
InChIInChI=1S/C15H33N3/c1-14(2)10-9-11-15(3,4)18(14)17-13-8-6-5-7-12-16/h17H,5-13,16H2,1-4H3
InChIKeyQITVMFSGIKQAFH-UHFFFAOYSA-N
XLogP3.05
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.45
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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'-(2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diamine?
The IUPAC name of N'-(2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diamine (CID 23196217) is N'-(2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diamine.
What is the SMILES notation for N'-(2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diamine?
The canonical SMILES for N'-(2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diamine is CC1(C)CCCC(C)(C)N1NCCCCCCN.
What is the InChIKey of N'-(2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diamine?
The InChIKey is QITVMFSGIKQAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H33N3/c1-14(2)10-9-11-15(3,4)18(14)17-13-8-6-5-7-12-16/h17H,5-13,16H2,1-4H3.
What are the key properties of N'-(2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diamine?
N'-(2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diamine has a molecular weight of 255.45 g/mol, XLogP of 3.05, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,6,6-tetramethylpiperidin-1-yl)hexane-1,6-diamine is sourced from PubChem (CID 23196217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).