tert-butyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate

C13H24N2O2 — CID 117275063

IUPACtert-butyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C1=CCNCC1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-13(4,5)10-6-8-14-9-7-10/h6,14H,7-9H2,1-5H3,(H,15,16)
InChIKeyDCQDPNSFLHWUAQ-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.21
Rot. Bonds2

About tert-butyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate

tert-butyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate (PubChem CID 117275063) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate
PubChem CID117275063
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate
SMILESCC(C)(C)OC(=O)NC(C)(C)C1=CCNCC1
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-13(4,5)10-6-8-14-9-7-10/h6,14H,7-9H2,1-5H3,(H,15,16)
InChIKeyDCQDPNSFLHWUAQ-UHFFFAOYSA-N
XLogP2.21
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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
methyl (2S)-2-(cyclopenten-1-yl)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 172862637
tert-butyl N-[2-(3,5-difluorophenyl)propan-2-yl]carbamate
CID 118336731
tert-butyl N-[2-(4-iodophenyl)propan-2-yl]carbamate
CID 133062885
tert-butyl N-[2-(5-fluoropyrimidin-2-yl)propan-2-yl]carbamate
CID 167721913
CID 177154667
CID 177154667
tert-butyl N-[2-(4-amino-2-pyridinyl)propan-2-yl]carbamate
CID 167211985
tert-butyl N-[2-(5-amino-2-methoxyphenyl)propan-2-yl]carbamate
CID 22981126
tert-butyl N-[1-(1,2,3,6-tetrahydropyridin-5-yl)propan-2-yl]carbamate
CID 117275054
tert-butyl N-[1-bromo-1-(methylamino)ethyl]carbamate
CID 163506370
tert-butyl N-(1,2-dihydroazet-3-yl)carbamate
CID 68933246
tert-butyl N-(6-bromo-1,2,3,4-tetrahydroisoquinolin-5-yl)carbamate
CID 125450008

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate?
The IUPAC name of tert-butyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate (CID 117275063) is tert-butyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate is CC(C)(C)OC(=O)NC(C)(C)C1=CCNCC1.
What is the InChIKey of tert-butyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate?
The InChIKey is DCQDPNSFLHWUAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)15-13(4,5)10-6-8-14-9-7-10/h6,14H,7-9H2,1-5H3,(H,15,16).
What are the key properties of tert-butyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate?
tert-butyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate has a molecular weight of 240.35 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1,2,3,6-tetrahydropyridin-4-yl)propan-2-yl]carbamate is sourced from PubChem (CID 117275063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).