tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate

C13H24N2O2 — CID 171397407

IUPACtert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC12CCCN1CCC2
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)14-10-13-6-4-8-15(13)9-5-7-13/h4-10H2,1-3H3,(H,14,16)
InChIKeyPIHWIEOMJBHLCX-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.14
Rot. Bonds2

About tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate

tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate (PubChem CID 171397407) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate
PubChem CID171397407
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Nametert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate
SMILESCC(C)(C)OC(=O)NCC12CCCN1CCC2
InChIInChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)14-10-13-6-4-8-15(13)9-5-7-13/h4-10H2,1-3H3,(H,14,16)
InChIKeyPIHWIEOMJBHLCX-UHFFFAOYSA-N
XLogP2.14
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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tert-butyl N-[[5-(aminomethyl)-1-bicyclo[3.1.1]heptanyl]methyl]carbamate
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tert-butyl N-[1-[N'-methyl-N-[(1-methyl-4-piperidin-1-ylpiperidin-4-yl)methyl]carbamimidoyl]pyrrolidin-3-yl]carbamate
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tert-butyl 3-ethyl-3-piperidin-1-ylpiperidine-1-carboxylate
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tert-butyl N-[(4-fluoro-1-methylsulfonylpiperidin-4-yl)methyl]carbamate
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tert-butyl N-[(3-aminothian-3-yl)methyl]carbamate
CID 84803204
tert-butyl N-[[2-(hydroxymethyl)spiro[3.3]heptan-2-yl]methyl]carbamate
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tert-butyl N-[[1-(2-chloropyrrolo[2,3-d]pyrimidin-7-yl)cyclopentyl]methyl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate?
The IUPAC name of tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate (CID 171397407) is tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate.
What is the SMILES notation for tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate?
The canonical SMILES for tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate is CC(C)(C)OC(=O)NCC12CCCN1CCC2.
What is the InChIKey of tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate?
The InChIKey is PIHWIEOMJBHLCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-12(2,3)17-11(16)14-10-13-6-4-8-15(13)9-5-7-13/h4-10H2,1-3H3,(H,14,16).
What are the key properties of tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate?
tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate has a molecular weight of 240.35 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)carbamate is sourced from PubChem (CID 171397407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).