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

C12H27N3 — CID 23053339

IUPACN'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
SMILESCC1(C)CC(NCCCN)CC(C)(C)N1
InChIInChI=1S/C12H27N3/c1-11(2)8-10(14-7-5-6-13)9-12(3,4)15-11/h10,14-15H,5-9,13H2,1-4H3
InChIKeySIZOWDGGCYRAHE-UHFFFAOYSA-N
MW213.37 g/mol
LogP1.23
Rot. Bonds4

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

N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 23053339) has the molecular formula C12H27N3 and a molecular weight of 213.37 g/mol. Its IUPAC name is N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
PubChem CID23053339
Molecular FormulaC12H27N3
Molecular Weight213.37 g/mol
Exact Mass213.22
IUPAC NameN'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
SMILESCC1(C)CC(NCCCN)CC(C)(C)N1
InChIInChI=1S/C12H27N3/c1-11(2)8-10(14-7-5-6-13)9-12(3,4)15-11/h10,14-15H,5-9,13H2,1-4H3
InChIKeySIZOWDGGCYRAHE-UHFFFAOYSA-N
XLogP1.23
TPSA50.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.37
LogP ≤ 51.23
H-Bond Donors ≤ 53
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-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine (CID 23053339) is N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine is CC1(C)CC(NCCCN)CC(C)(C)N1.
What is the InChIKey of N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine?
The InChIKey is SIZOWDGGCYRAHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27N3/c1-11(2)8-10(14-7-5-6-13)9-12(3,4)15-11/h10,14-15H,5-9,13H2,1-4H3.
What are the key properties of N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine?
N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 213.37 g/mol, XLogP of 1.23, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 23053339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).