tert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate

C18H33N3O2 — CID 103695583

IUPACtert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NC1CN2CCC1CC2
InChIInChI=1S/C18H33N3O2/c1-18(2,3)23-17(22)19-11-14-5-4-6-15(14)20-16-12-21-9-7-13(16)8-10-21/h13-16,20H,4-12H2,1-3H3,(H,19,22)
InChIKeyRUODECNOGWILGQ-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.36
Rot. Bonds4

About tert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate

tert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate (PubChem CID 103695583) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is tert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate
PubChem CID103695583
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Nametert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate
SMILESCC(C)(C)OC(=O)NCC1CCCC1NC1CN2CCC1CC2
InChIInChI=1S/C18H33N3O2/c1-18(2,3)23-17(22)19-11-14-5-4-6-15(14)20-16-12-21-9-7-13(16)8-10-21/h13-16,20H,4-12H2,1-3H3,(H,19,22)
InChIKeyRUODECNOGWILGQ-UHFFFAOYSA-N
XLogP2.36
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[[2-[(2-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate
CID 103695769
tert-butyl N-[[2-[(1-methylpiperidin-3-yl)amino]cyclohexyl]methyl]carbamate
CID 103695447
tert-butyl N-[[2-[(3-methylcyclobutyl)amino]cyclopentyl]methyl]carbamate
CID 115972861
tert-butyl N-[[(1S,2R)-2-[(4-hydroxycyclohexyl)amino]cyclopentyl]methyl]carbamate
CID 99782010
tert-butyl N-[[2-[2-(carbamoylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 83112671
tert-butyl N-[[2-[2-(tert-butylamino)ethylamino]cyclopentyl]methyl]carbamate
CID 107446348
tert-butyl N-[[2-[(1-methyl-2-oxopyrrolidin-3-yl)amino]cyclohexyl]methyl]carbamate
CID 106253113
tert-butyl N-[[2-[(1-methylpyrrolidin-2-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103947713
tert-butyl N-[[2-[(3-methoxycyclobutyl)amino]cyclopentyl]methyl]carbamate
CID 104584543
tert-butyl N-[[2-[(1-methylpiperidin-4-yl)methylamino]cyclopentyl]methyl]carbamate
CID 103695749
tert-butyl N-[3-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]carbamate
CID 103720015
tert-butyl N-[[2-[(2-methylcyclopropyl)methylamino]cyclopentyl]methyl]carbamate
CID 115970935

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate?
The IUPAC name of tert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate (CID 103695583) is tert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate.
What is the SMILES notation for tert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate?
The canonical SMILES for tert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate is CC(C)(C)OC(=O)NCC1CCCC1NC1CN2CCC1CC2.
What is the InChIKey of tert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate?
The InChIKey is RUODECNOGWILGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-18(2,3)23-17(22)19-11-14-5-4-6-15(14)20-16-12-21-9-7-13(16)8-10-21/h13-16,20H,4-12H2,1-3H3,(H,19,22).
What are the key properties of tert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate?
tert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate has a molecular weight of 323.48 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate is sourced from PubChem (CID 103695583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).