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

C12H27N3 — CID 54491807

IUPACN'-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diamine
SMILESCC1(C)CCCC(C)(C)N1NCCCN
InChIInChI=1S/C12H27N3/c1-11(2)7-5-8-12(3,4)15(11)14-10-6-9-13/h14H,5-10,13H2,1-4H3
InChIKeyXWGMOJUZTAZNAK-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.88
Rot. Bonds4

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

N'-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diamine (PubChem CID 54491807) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N'-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diamine
PubChem CID54491807
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN'-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diamine
SMILESCC1(C)CCCC(C)(C)N1NCCCN
InChIInChI=1S/C12H27N3/c1-11(2)7-5-8-12(3,4)15(11)14-10-6-9-13/h14H,5-10,13H2,1-4H3
InChIKeyXWGMOJUZTAZNAK-UHFFFAOYSA-N
XLogP1.88
TPSA41.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.88
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)propane-1,3-diamine?
The IUPAC name of N'-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diamine (CID 54491807) is N'-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diamine is CC1(C)CCCC(C)(C)N1NCCCN.
What is the InChIKey of N'-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diamine?
The InChIKey is XWGMOJUZTAZNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-11(2)7-5-8-12(3,4)15(11)14-10-6-9-13/h14H,5-10,13H2,1-4H3.
What are the key properties of N'-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diamine?
N'-(2,2,6,6-tetramethylpiperidin-1-yl)propane-1,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.88, 4 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)propane-1,3-diamine is sourced from PubChem (CID 54491807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).