tert-butyl N-(1,2,3,6-tetrahydropyridin-3-yl)carbamate

C10H18N2O2 — CID 45091885

IUPACtert-butyl N-(1,2,3,6-tetrahydropyridin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1C=CCNC1
InChIInChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h4-5,8,11H,6-7H2,1-3H3,(H,12,13)
InChIKeyYTEGSBIAQXILCF-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.04
Rot. Bonds1

About tert-butyl N-(1,2,3,6-tetrahydropyridin-3-yl)carbamate

tert-butyl N-(1,2,3,6-tetrahydropyridin-3-yl)carbamate (PubChem CID 45091885) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is tert-butyl N-(1,2,3,6-tetrahydropyridin-3-yl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,2,3,6-tetrahydropyridin-3-yl)carbamate
PubChem CID45091885
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Nametert-butyl N-(1,2,3,6-tetrahydropyridin-3-yl)carbamate
SMILESCC(C)(C)OC(=O)NC1C=CCNC1
InChIInChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h4-5,8,11H,6-7H2,1-3H3,(H,12,13)
InChIKeyYTEGSBIAQXILCF-UHFFFAOYSA-N
XLogP1.04
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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tert-butyl N-[1-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]pent-3-en-2-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,2,3,6-tetrahydropyridin-3-yl)carbamate?
The IUPAC name of tert-butyl N-(1,2,3,6-tetrahydropyridin-3-yl)carbamate (CID 45091885) is tert-butyl N-(1,2,3,6-tetrahydropyridin-3-yl)carbamate.
What is the SMILES notation for tert-butyl N-(1,2,3,6-tetrahydropyridin-3-yl)carbamate?
The canonical SMILES for tert-butyl N-(1,2,3,6-tetrahydropyridin-3-yl)carbamate is CC(C)(C)OC(=O)NC1C=CCNC1.
What is the InChIKey of tert-butyl N-(1,2,3,6-tetrahydropyridin-3-yl)carbamate?
The InChIKey is YTEGSBIAQXILCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2,3)14-9(13)12-8-5-4-6-11-7-8/h4-5,8,11H,6-7H2,1-3H3,(H,12,13).
What are the key properties of tert-butyl N-(1,2,3,6-tetrahydropyridin-3-yl)carbamate?
tert-butyl N-(1,2,3,6-tetrahydropyridin-3-yl)carbamate has a molecular weight of 198.27 g/mol, XLogP of 1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,2,3,6-tetrahydropyridin-3-yl)carbamate is sourced from PubChem (CID 45091885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).