[(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)amino] N-tert-butylcarbamate

C14H27N3O2 — CID 56997540

IUPAC[(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)amino] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)ONC1=CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C14H27N3O2/c1-12(2,3)15-11(18)19-16-10-8-13(4,5)17-14(6,7)9-10/h8,16-17H,9H2,1-7H3,(H,15,18)
InChIKeyHELYQQGRLHOCAH-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.45
Rot. Bonds2

About [(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)amino] N-tert-butylcarbamate

[(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)amino] N-tert-butylcarbamate (PubChem CID 56997540) has the molecular formula C14H27N3O2 and a molecular weight of 269.39 g/mol. Its IUPAC name is [(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)amino] N-tert-butylcarbamate.

Molecular Properties

Compound Name[(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)amino] N-tert-butylcarbamate
PubChem CID56997540
Molecular FormulaC14H27N3O2
Molecular Weight269.39 g/mol
Exact Mass269.21
IUPAC Name[(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)amino] N-tert-butylcarbamate
SMILESCC(C)(C)NC(=O)ONC1=CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C14H27N3O2/c1-12(2,3)15-11(18)19-16-10-8-13(4,5)17-14(6,7)9-10/h8,16-17H,9H2,1-7H3,(H,15,18)
InChIKeyHELYQQGRLHOCAH-UHFFFAOYSA-N
XLogP2.45
TPSA62.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)amino] N-tert-butylcarbamate?
The IUPAC name of [(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)amino] N-tert-butylcarbamate (CID 56997540) is [(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)amino] N-tert-butylcarbamate.
What is the SMILES notation for [(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)amino] N-tert-butylcarbamate?
The canonical SMILES for [(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)amino] N-tert-butylcarbamate is CC(C)(C)NC(=O)ONC1=CC(C)(C)NC(C)(C)C1.
What is the InChIKey of [(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)amino] N-tert-butylcarbamate?
The InChIKey is HELYQQGRLHOCAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N3O2/c1-12(2,3)15-11(18)19-16-10-8-13(4,5)17-14(6,7)9-10/h8,16-17H,9H2,1-7H3,(H,15,18).
What are the key properties of [(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)amino] N-tert-butylcarbamate?
[(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)amino] N-tert-butylcarbamate has a molecular weight of 269.39 g/mol, XLogP of 2.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2,2,6,6-tetramethyl-1,3-dihydropyridin-4-yl)amino] N-tert-butylcarbamate is sourced from PubChem (CID 56997540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).