tert-butyl N-[1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-yl]carbamate

C13H24N2O2 — CID 117275054

IUPACtert-butyl N-[1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-yl]carbamate
SMILESCC(CC1=CCCNC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-10(8-11-6-5-7-14-9-11)15-12(16)17-13(2,3)4/h6,10,14H,5,7-9H2,1-4H3,(H,15,16)
InChIKeyOQYUPZJWUXLXCZ-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.21
Rot. Bonds3

About tert-butyl N-[1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-yl]carbamate

tert-butyl N-[1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-yl]carbamate (PubChem CID 117275054) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl N-[1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-yl]carbamate
PubChem CID117275054
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl N-[1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-yl]carbamate
SMILESCC(CC1=CCCNC1)NC(=O)OC(C)(C)C
InChIInChI=1S/C13H24N2O2/c1-10(8-11-6-5-7-14-9-11)15-12(16)17-13(2,3)4/h6,10,14H,5,7-9H2,1-4H3,(H,15,16)
InChIKeyOQYUPZJWUXLXCZ-UHFFFAOYSA-N
XLogP2.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.21
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

tert-butyl N-[1-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate
CID 117275068
tert-butyl N-[1-(cyclopenten-1-yl)propan-2-yl]carbamate
CID 170129188
tert-butyl N-[(2S)-1-(4-oxocyclohexen-1-yl)propan-2-yl]carbamate
CID 170551079
tert-butyl N-(4,4-dimethylpentan-2-yl)carbamate
CID 59686952
tert-butyl N-[(2R)-1-(1H-imidazol-5-yl)propan-2-yl]carbamate
CID 130852205
2-[4-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl]phenyl]acetic acid
CID 129405884
[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propyl] methanesulfonate
CID 10753379
tert-butyl N-[1-(2-chlorophenyl)propan-2-yl]carbamate
CID 63789387
tert-butyl N-(4-oxo-4-piperazin-1-ylbutan-2-yl)carbamate
CID 70213372
tert-butyl N-[1-(5-bromopyrimidin-2-yl)propan-2-yl]carbamate
CID 172851620
tert-butyl N-[1-[4-(trifluoromethyl)phenyl]propan-2-yl]carbamate
CID 143988423
tert-butyl N-[(2R)-1-iodopropan-2-yl]carbamate
CID 59077105

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-yl]carbamate (CID 117275054) is tert-butyl N-[1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-yl]carbamate is CC(CC1=CCCNC1)NC(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl N-[1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-yl]carbamate?
The InChIKey is OQYUPZJWUXLXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-10(8-11-6-5-7-14-9-11)15-12(16)17-13(2,3)4/h6,10,14H,5,7-9H2,1-4H3,(H,15,16).
What are the key properties of tert-butyl N-[1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-yl]carbamate?
tert-butyl N-[1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-yl]carbamate has a molecular weight of 240.35 g/mol, XLogP of 2.21, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-yl]carbamate is sourced from PubChem (CID 117275054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).