N,N',N'-tris(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine

C28H57N5 — CID 3477947

IUPACN,N',N'-tris(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine
SMILESCC1(C)CC(NCN(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C28H57N5/c1-23(2)13-20(14-24(3,4)30-23)29-19-33(21-15-25(5,6)31-26(7,8)16-21)22-17-27(9,10)32-28(11,12)18-22/h20-22,29-32H,13-19H2,1-12H3
InChIKeyGACPEGRKBIMSQN-UHFFFAOYSA-N
MW463.80 g/mol
LogP4.76
Rot. Bonds5

About N,N',N'-tris(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine

N,N',N'-tris(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine (PubChem CID 3477947) has the molecular formula C28H57N5 and a molecular weight of 463.80 g/mol. Its IUPAC name is N,N',N'-tris(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine.

Molecular Properties

Compound NameN,N',N'-tris(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine
PubChem CID3477947
Molecular FormulaC28H57N5
Molecular Weight463.80 g/mol
Exact Mass463.46
IUPAC NameN,N',N'-tris(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine
SMILESCC1(C)CC(NCN(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C28H57N5/c1-23(2)13-20(14-24(3,4)30-23)29-19-33(21-15-25(5,6)31-26(7,8)16-21)22-17-27(9,10)32-28(11,12)18-22/h20-22,29-32H,13-19H2,1-12H3
InChIKeyGACPEGRKBIMSQN-UHFFFAOYSA-N
XLogP4.76
TPSA51.36 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.80
LogP ≤ 54.76
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N',N'-tris(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine?
The IUPAC name of N,N',N'-tris(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine (CID 3477947) is N,N',N'-tris(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine.
What is the SMILES notation for N,N',N'-tris(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine?
The canonical SMILES for N,N',N'-tris(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine is CC1(C)CC(NCN(C2CC(C)(C)NC(C)(C)C2)C2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of N,N',N'-tris(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine?
The InChIKey is GACPEGRKBIMSQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H57N5/c1-23(2)13-20(14-24(3,4)30-23)29-19-33(21-15-25(5,6)31-26(7,8)16-21)22-17-27(9,10)32-28(11,12)18-22/h20-22,29-32H,13-19H2,1-12H3.
What are the key properties of N,N',N'-tris(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine?
N,N',N'-tris(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine has a molecular weight of 463.80 g/mol, XLogP of 4.76, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N',N'-tris(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine is sourced from PubChem (CID 3477947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).