tert-butyl N-[2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]carbamate

C14H26N2O2 — CID 90396311

IUPACtert-butyl N-[2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]carbamate
SMILESCCC1=CCN(CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-5-12-6-9-16(10-7-12)11-8-15-13(17)18-14(2,3)4/h6H,5,7-11H2,1-4H3,(H,15,17)
InChIKeyTYIMEYRUGONZRD-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.55
Rot. Bonds4

About tert-butyl N-[2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]carbamate

tert-butyl N-[2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]carbamate (PubChem CID 90396311) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl N-[2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]carbamate
PubChem CID90396311
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl N-[2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]carbamate
SMILESCCC1=CCN(CCNC(=O)OC(C)(C)C)CC1
InChIInChI=1S/C14H26N2O2/c1-5-12-6-9-16(10-7-12)11-8-15-13(17)18-14(2,3)4/h6H,5,7-11H2,1-4H3,(H,15,17)
InChIKeyTYIMEYRUGONZRD-UHFFFAOYSA-N
XLogP2.55
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]carbamate (CID 90396311) is tert-butyl N-[2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]carbamate is CCC1=CCN(CCNC(=O)OC(C)(C)C)CC1.
What is the InChIKey of tert-butyl N-[2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]carbamate?
The InChIKey is TYIMEYRUGONZRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-5-12-6-9-16(10-7-12)11-8-15-13(17)18-14(2,3)4/h6H,5,7-11H2,1-4H3,(H,15,17).
What are the key properties of tert-butyl N-[2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]carbamate?
tert-butyl N-[2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]carbamate has a molecular weight of 254.37 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-ethyl-3,6-dihydro-2H-pyridin-1-yl)ethyl]carbamate is sourced from PubChem (CID 90396311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).