tert-butyl N-[3-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]carbamate

C18H33N3O2 — CID 103720015

IUPACtert-butyl N-[3-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(NC2CN3CCC2CC3)C1
InChIInChI=1S/C18H33N3O2/c1-18(2,3)23-17(22)20-15-6-4-5-14(11-15)19-16-12-21-9-7-13(16)8-10-21/h13-16,19H,4-12H2,1-3H3,(H,20,22)
InChIKeyMIFTXLMBPUELRU-UHFFFAOYSA-N
MW323.48 g/mol
LogP2.51
Rot. Bonds3

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

tert-butyl N-[3-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]carbamate (PubChem CID 103720015) has the molecular formula C18H33N3O2 and a molecular weight of 323.48 g/mol. Its IUPAC name is tert-butyl N-[3-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[3-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]carbamate
PubChem CID103720015
Molecular FormulaC18H33N3O2
Molecular Weight323.48 g/mol
Exact Mass323.26
IUPAC Nametert-butyl N-[3-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]carbamate
SMILESCC(C)(C)OC(=O)NC1CCCC(NC2CN3CCC2CC3)C1
InChIInChI=1S/C18H33N3O2/c1-18(2,3)23-17(22)20-15-6-4-5-14(11-15)19-16-12-21-9-7-13(16)8-10-21/h13-16,19H,4-12H2,1-3H3,(H,20,22)
InChIKeyMIFTXLMBPUELRU-UHFFFAOYSA-N
XLogP2.51
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.48
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze tert-butyl N-[3-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]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-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203
tert-butyl N-[3-(cyclobutylamino)cyclopentyl]carbamate
CID 79461260
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
tert-butyl N-[[2-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclopentyl]methyl]carbamate
CID 103695583
tert-butyl N-[3-[(2-hydroxycyclohexyl)amino]cyclopentyl]carbamate
CID 79462086
tert-butyl N-[3-(piperidin-1-ylamino)cyclohexyl]carbamate
CID 83009142
tert-butyl N-[2-[(3-methylcyclohexyl)amino]cyclopropyl]carbamate
CID 107238142
tert-butyl N-[3-(oxan-4-ylamino)cyclohexyl]carbamate
CID 79462192
tert-butyl N-[[(1R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]amino]carbamate
CID 118227156
tert-butyl N-[(1S,3S)-3-(2-methylpropanoylamino)cyclohexyl]carbamate
CID 99581442
tert-butyl N-[(1R,3S)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]cyclohexyl]carbamate
CID 129446084
tert-butyl N-[(1S,3R)-3-(ethylamino)cyclohexyl]carbamate
CID 72544342

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[3-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]carbamate?
The IUPAC name of tert-butyl N-[3-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]carbamate (CID 103720015) is tert-butyl N-[3-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]carbamate.
What is the SMILES notation for tert-butyl N-[3-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]carbamate?
The canonical SMILES for tert-butyl N-[3-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]carbamate is CC(C)(C)OC(=O)NC1CCCC(NC2CN3CCC2CC3)C1.
What is the InChIKey of tert-butyl N-[3-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]carbamate?
The InChIKey is MIFTXLMBPUELRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N3O2/c1-18(2,3)23-17(22)20-15-6-4-5-14(11-15)19-16-12-21-9-7-13(16)8-10-21/h13-16,19H,4-12H2,1-3H3,(H,20,22).
What are the key properties of tert-butyl N-[3-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]carbamate?
tert-butyl N-[3-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]carbamate has a molecular weight of 323.48 g/mol, XLogP of 2.51, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[3-(1-azabicyclo[2.2.2]octan-3-ylamino)cyclohexyl]carbamate is sourced from PubChem (CID 103720015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).