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

C19H40N4 — CID 22081998

IUPACN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine
SMILESCC1(C)CC(NCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C19H40N4/c1-16(2)9-14(10-17(3,4)22-16)20-13-21-15-11-18(5,6)23-19(7,8)12-15/h14-15,20-23H,9-13H2,1-8H3
InChIKeyCZTDROUEFLBFKA-UHFFFAOYSA-N
MW324.56 g/mol
LogP2.74
Rot. Bonds4

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

N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine (PubChem CID 22081998) has the molecular formula C19H40N4 and a molecular weight of 324.56 g/mol. Its IUPAC name is N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine.

Molecular Properties

Compound NameN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine
PubChem CID22081998
Molecular FormulaC19H40N4
Molecular Weight324.56 g/mol
Exact Mass324.33
IUPAC NameN,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine
SMILESCC1(C)CC(NCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1
InChIInChI=1S/C19H40N4/c1-16(2)9-14(10-17(3,4)22-16)20-13-21-15-11-18(5,6)23-19(7,8)12-15/h14-15,20-23H,9-13H2,1-8H3
InChIKeyCZTDROUEFLBFKA-UHFFFAOYSA-N
XLogP2.74
TPSA48.12 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.56
LogP ≤ 52.74
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine?
The IUPAC name of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine (CID 22081998) is N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine.
What is the SMILES notation for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine?
The canonical SMILES for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine is CC1(C)CC(NCNC2CC(C)(C)NC(C)(C)C2)CC(C)(C)N1.
What is the InChIKey of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine?
The InChIKey is CZTDROUEFLBFKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H40N4/c1-16(2)9-14(10-17(3,4)22-16)20-13-21-15-11-18(5,6)23-19(7,8)12-15/h14-15,20-23H,9-13H2,1-8H3.
What are the key properties of N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine?
N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine has a molecular weight of 324.56 g/mol, XLogP of 2.74, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine is sourced from PubChem (CID 22081998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).