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

C14H31N3 — CID 3018747

IUPACN',N'-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
SMILESCN(C)CCCNC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C14H31N3/c1-13(2)10-12(11-14(3,4)16-13)15-8-7-9-17(5)6/h12,15-16H,7-11H2,1-6H3
InChIKeyQYNFXDVIHNENBG-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.84
Rot. Bonds5

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

N',N'-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine (PubChem CID 3018747) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is N',N'-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN',N'-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
PubChem CID3018747
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC NameN',N'-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine
SMILESCN(C)CCCNC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C14H31N3/c1-13(2)10-12(11-14(3,4)16-13)15-8-7-9-17(5)6/h12,15-16H,7-11H2,1-6H3
InChIKeyQYNFXDVIHNENBG-UHFFFAOYSA-N
XLogP1.84
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.84
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',N'-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine?
The IUPAC name of N',N'-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine (CID 3018747) is N',N'-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine.
What is the SMILES notation for N',N'-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine?
The canonical SMILES for N',N'-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine is CN(C)CCCNC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N',N'-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine?
The InChIKey is QYNFXDVIHNENBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-13(2)10-12(11-14(3,4)16-13)15-8-7-9-17(5)6/h12,15-16H,7-11H2,1-6H3.
What are the key properties of N',N'-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine?
N',N'-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',N'-dimethyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)propane-1,3-diamine is sourced from PubChem (CID 3018747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).