tert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]carbamate

C14H26N2O2 — CID 83985971

IUPACtert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1CN2CCC1CC2
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)15-7-4-12-10-16-8-5-11(12)6-9-16/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyMHPWUSNVHNDJMS-UHFFFAOYSA-N
MW254.37 g/mol
LogP2.24
Rot. Bonds3

About tert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]carbamate

tert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]carbamate (PubChem CID 83985971) has the molecular formula C14H26N2O2 and a molecular weight of 254.37 g/mol. Its IUPAC name is tert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]carbamate
PubChem CID83985971
Molecular FormulaC14H26N2O2
Molecular Weight254.37 g/mol
Exact Mass254.20
IUPAC Nametert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]carbamate
SMILESCC(C)(C)OC(=O)NCCC1CN2CCC1CC2
InChIInChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)15-7-4-12-10-16-8-5-11(12)6-9-16/h11-12H,4-10H2,1-3H3,(H,15,17)
InChIKeyMHPWUSNVHNDJMS-UHFFFAOYSA-N
XLogP2.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate
CID 103695583
tert-butyl N-[2-(2-cyclopropylpyrrolidin-3-yl)ethyl]carbamate
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propan-2-yl 4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]piperidine-1-carboxylate
CID 59158861
tert-butyl N-[1-(1-azabicyclo[3.2.1]octan-4-ylamino)-2-methylpropan-2-yl]carbamate
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4-(1-azabicyclo[2.2.2]octan-3-yl)butan-2-one
CID 83985982
tert-butyl N-[2-(4-methylpiperazin-2-yl)ethyl]carbamate
CID 82386141
tert-butyl N-[2-(1-butanoylpiperidin-4-yl)ethyl]carbamate
CID 177056107
tert-butyl N-[2-[(3S)-3-hydroxypyrrolidin-1-yl]ethyl]carbamate
CID 103694373
tert-butyl N-[2-(azetidin-3-ylamino)ethyl]carbamate
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tert-butyl N-[2-(5-propan-2-ylazepan-4-yl)ethyl]carbamate
CID 84813188
tert-butyl N-[(1-acetylpyrrolidin-3-yl)methyl]carbamate
CID 86648179
tert-butyl N-[[(3S)-1-ethylpyrrolidin-3-yl]methyl]carbamate
CID 70878490

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]carbamate (CID 83985971) is tert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]carbamate is CC(C)(C)OC(=O)NCCC1CN2CCC1CC2.
What is the InChIKey of tert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]carbamate?
The InChIKey is MHPWUSNVHNDJMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2/c1-14(2,3)18-13(17)15-7-4-12-10-16-8-5-11(12)6-9-16/h11-12H,4-10H2,1-3H3,(H,15,17).
What are the key properties of tert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]carbamate?
tert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]carbamate has a molecular weight of 254.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(1-azabicyclo[2.2.2]octan-3-yl)ethyl]carbamate is sourced from PubChem (CID 83985971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).