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

C11H25N3 — CID 59934523

IUPACN-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine
SMILESCNCNC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C11H25N3/c1-10(2)6-9(13-8-12-5)7-11(3,4)14-10/h9,12-14H,6-8H2,1-5H3
InChIKeyCRTPFOCXFTWFOD-UHFFFAOYSA-N
MW199.34 g/mol
LogP1.06
Rot. Bonds3

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

N-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine (PubChem CID 59934523) has the molecular formula C11H25N3 and a molecular weight of 199.34 g/mol. Its IUPAC name is N-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine.

Molecular Properties

Compound NameN-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine
PubChem CID59934523
Molecular FormulaC11H25N3
Molecular Weight199.34 g/mol
Exact Mass199.20
IUPAC NameN-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine
SMILESCNCNC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C11H25N3/c1-10(2)6-9(13-8-12-5)7-11(3,4)14-10/h9,12-14H,6-8H2,1-5H3
InChIKeyCRTPFOCXFTWFOD-UHFFFAOYSA-N
XLogP1.06
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 51.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine?
The IUPAC name of N-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine (CID 59934523) is N-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine.
What is the SMILES notation for N-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine?
The canonical SMILES for N-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine is CNCNC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of N-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine?
The InChIKey is CRTPFOCXFTWFOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3/c1-10(2)6-9(13-8-12-5)7-11(3,4)14-10/h9,12-14H,6-8H2,1-5H3.
What are the key properties of N-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine?
N-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine has a molecular weight of 199.34 g/mol, XLogP of 1.06, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N'-(2,2,6,6-tetramethylpiperidin-4-yl)methanediamine is sourced from PubChem (CID 59934523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).