N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine

C21H44N4 — CID 18736409

IUPACN,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine
SMILESCN1C(C)(C)CC(NCNC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C21H44N4/c1-18(2)11-16(12-19(3,4)24(18)9)22-15-23-17-13-20(5,6)25(10)21(7,8)14-17/h16-17,22-23H,11-15H2,1-10H3
InChIKeyQATJQAMRDFGSJO-UHFFFAOYSA-N
MW352.61 g/mol
LogP3.43
Rot. Bonds4

About N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine

N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine (PubChem CID 18736409) has the molecular formula C21H44N4 and a molecular weight of 352.61 g/mol. Its IUPAC name is N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine.

Molecular Properties

Compound NameN,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine
PubChem CID18736409
Molecular FormulaC21H44N4
Molecular Weight352.61 g/mol
Exact Mass352.36
IUPAC NameN,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine
SMILESCN1C(C)(C)CC(NCNC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C
InChIInChI=1S/C21H44N4/c1-18(2)11-16(12-19(3,4)24(18)9)22-15-23-17-13-20(5,6)25(10)21(7,8)14-17/h16-17,22-23H,11-15H2,1-10H3
InChIKeyQATJQAMRDFGSJO-UHFFFAOYSA-N
XLogP3.43
TPSA30.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.61
LogP ≤ 53.43
H-Bond Donors ≤ 52
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(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine?
The IUPAC name of N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine (CID 18736409) is N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine.
What is the SMILES notation for N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine?
The canonical SMILES for N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine is CN1C(C)(C)CC(NCNC2CC(C)(C)N(C)C(C)(C)C2)CC1(C)C.
What is the InChIKey of N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine?
The InChIKey is QATJQAMRDFGSJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H44N4/c1-18(2)11-16(12-19(3,4)24(18)9)22-15-23-17-13-20(5,6)25(10)21(7,8)14-17/h16-17,22-23H,11-15H2,1-10H3.
What are the key properties of N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine?
N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine has a molecular weight of 352.61 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(1,2,2,6,6-pentamethylpiperidin-4-yl)methanediamine is sourced from PubChem (CID 18736409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).