3-N-methyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,3-diamine

C14H31N3 — CID 154081474

IUPAC3-N-methyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,3-diamine
SMILESCNC(C)CCNC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C14H31N3/c1-11(15-6)7-8-16-12-9-13(2,3)17-14(4,5)10-12/h11-12,15-17H,7-10H2,1-6H3
InChIKeyAFJFRUFKIQVXJZ-UHFFFAOYSA-N
MW241.42 g/mol
LogP1.88
Rot. Bonds5

About 3-N-methyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,3-diamine

3-N-methyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,3-diamine (PubChem CID 154081474) has the molecular formula C14H31N3 and a molecular weight of 241.42 g/mol. Its IUPAC name is 3-N-methyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,3-diamine.

Molecular Properties

Compound Name3-N-methyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,3-diamine
PubChem CID154081474
Molecular FormulaC14H31N3
Molecular Weight241.42 g/mol
Exact Mass241.25
IUPAC Name3-N-methyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,3-diamine
SMILESCNC(C)CCNC1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C14H31N3/c1-11(15-6)7-8-16-12-9-13(2,3)17-14(4,5)10-12/h11-12,15-17H,7-10H2,1-6H3
InChIKeyAFJFRUFKIQVXJZ-UHFFFAOYSA-N
XLogP1.88
TPSA36.09 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.42
LogP ≤ 51.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-N-methyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,3-diamine?
The IUPAC name of 3-N-methyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,3-diamine (CID 154081474) is 3-N-methyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,3-diamine.
What is the SMILES notation for 3-N-methyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,3-diamine?
The canonical SMILES for 3-N-methyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,3-diamine is CNC(C)CCNC1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 3-N-methyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,3-diamine?
The InChIKey is AFJFRUFKIQVXJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H31N3/c1-11(15-6)7-8-16-12-9-13(2,3)17-14(4,5)10-12/h11-12,15-17H,7-10H2,1-6H3.
What are the key properties of 3-N-methyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,3-diamine?
3-N-methyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,3-diamine has a molecular weight of 241.42 g/mol, XLogP of 1.88, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-methyl-1-N-(2,2,6,6-tetramethylpiperidin-4-yl)butane-1,3-diamine is sourced from PubChem (CID 154081474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).