(1,2,6-trimethyl-3,4-dihydro-2H-pyridin-4-yl)methyl N-tert-butylcarbamate

C14H26N2O2 — CID 153408577

IUPAC(1,2,6-trimethyl-3,4-dihydro-2H-pyridin-4-yl)methyl N-tert-butylcarbamate
SMILESCC1=CC(COC(=O)NC(C)(C)C)CC(C)N1C
InChIInChI=1S/C14H26N2O2/c1-10-7-12(8-11(2)16(10)6)9-18-13(17)15-14(3,4)5/h7,11-12H,8-9H2,1-6H3,(H,15,17)
InChIKeyZVBMRGWZCCNGRN-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.76
Rot. Bonds2

About (1,2,6-trimethyl-3,4-dihydro-2H-pyridin-4-yl)methyl N-tert-butylcarbamate

(1,2,6-trimethyl-3,4-dihydro-2H-pyridin-4-yl)methyl N-tert-butylcarbamate (PubChem CID 153408577) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is (1,2,6-trimethyl-3,4-dihydro-2H-pyridin-4-yl)methyl N-tert-butylcarbamate.

Molecular Properties

Compound Name(1,2,6-trimethyl-3,4-dihydro-2H-pyridin-4-yl)methyl N-tert-butylcarbamate
PubChem CID153408577
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Name(1,2,6-trimethyl-3,4-dihydro-2H-pyridin-4-yl)methyl N-tert-butylcarbamate
SMILESCC1=CC(COC(=O)NC(C)(C)C)CC(C)N1C
InChIInChI=1S/C14H26N2O2/c1-10-7-12(8-11(2)16(10)6)9-18-13(17)15-14(3,4)5/h7,11-12H,8-9H2,1-6H3,(H,15,17)
InChIKeyZVBMRGWZCCNGRN-UHFFFAOYSA-N
XLogP2.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1,2,6-trimethyl-3,4-dihydro-2H-pyridin-4-yl)methyl N-tert-butylcarbamate?
The IUPAC name of (1,2,6-trimethyl-3,4-dihydro-2H-pyridin-4-yl)methyl N-tert-butylcarbamate (CID 153408577) is (1,2,6-trimethyl-3,4-dihydro-2H-pyridin-4-yl)methyl N-tert-butylcarbamate.
What is the SMILES notation for (1,2,6-trimethyl-3,4-dihydro-2H-pyridin-4-yl)methyl N-tert-butylcarbamate?
The canonical SMILES for (1,2,6-trimethyl-3,4-dihydro-2H-pyridin-4-yl)methyl N-tert-butylcarbamate is CC1=CC(COC(=O)NC(C)(C)C)CC(C)N1C.
What is the InChIKey of (1,2,6-trimethyl-3,4-dihydro-2H-pyridin-4-yl)methyl N-tert-butylcarbamate?
The InChIKey is ZVBMRGWZCCNGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-10-7-12(8-11(2)16(10)6)9-18-13(17)15-14(3,4)5/h7,11-12H,8-9H2,1-6H3,(H,15,17).
What are the key properties of (1,2,6-trimethyl-3,4-dihydro-2H-pyridin-4-yl)methyl N-tert-butylcarbamate?
(1,2,6-trimethyl-3,4-dihydro-2H-pyridin-4-yl)methyl N-tert-butylcarbamate has a molecular weight of 254.37 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2,6-trimethyl-3,4-dihydro-2H-pyridin-4-yl)methyl N-tert-butylcarbamate is sourced from PubChem (CID 153408577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).