tert-butyl N-(4-aminocyclooctyl)carbamate

C13H26N2O2 — CID 147656644

IUPACtert-butyl N-(4-aminocyclooctyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCC(N)CC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-11-7-5-4-6-10(14)8-9-11/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyVJEBHQOIPGRCCP-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.56
Rot. Bonds1

About tert-butyl N-(4-aminocyclooctyl)carbamate

tert-butyl N-(4-aminocyclooctyl)carbamate (PubChem CID 147656644) has the molecular formula C13H26N2O2 and a molecular weight of 242.36 g/mol. Its IUPAC name is tert-butyl N-(4-aminocyclooctyl)carbamate.

Molecular Properties

Compound Nametert-butyl N-(4-aminocyclooctyl)carbamate
PubChem CID147656644
Molecular FormulaC13H26N2O2
Molecular Weight242.36 g/mol
Exact Mass242.20
IUPAC Nametert-butyl N-(4-aminocyclooctyl)carbamate
SMILESCC(C)(C)OC(=O)NC1CCCCC(N)CC1
InChIInChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-11-7-5-4-6-10(14)8-9-11/h10-11H,4-9,14H2,1-3H3,(H,15,16)
InChIKeyVJEBHQOIPGRCCP-UHFFFAOYSA-N
XLogP2.56
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
CID 140801985
tert-butyl N-[(1R)-3-aminocyclohexyl]carbamate
CID 148734897
tert-butyl N-[(1S)-3-aminocyclopentyl]carbamate
CID 129185983
(4-aminocyclohexyl)methanol;tert-butyl N-[4-(hydroxymethyl)cyclohexyl]carbamate;hydrochloride
CID 159376194
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[(3-hydroxy-2,2-dimethylpropanoyl)amino]cyclohexyl]carbamate
CID 159889394
4-aminocyclohexan-1-ol;tert-butyl N-(4-hydroxycyclohexyl)carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate
CID 160880979
N-(4-aminocyclohexyl)-2-(dimethylamino)acetamide;tert-butyl N-(4-aminocyclohexyl)carbamate;tert-butyl N-[4-[[2-(dimethylamino)acetyl]amino]cyclohexyl]carbamate
CID 161291088
tert-butyl N-[3-(cycloheptylamino)cyclopentyl]carbamate
CID 79461407
4-[(4-aminocyclohexyl)methyl]cyclohexan-1-amine;tert-butyl N-[4-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]methyl]cyclohexyl]carbamate;tert-butyl (2-methylpropan-2-yl)oxycarbonyl carbonate;hydrate
CID 160778406
tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate
CID 174975403
tert-butyl N-[(1R,3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]cyclohexyl]carbamate
CID 22884203

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(4-aminocyclooctyl)carbamate?
The IUPAC name of tert-butyl N-(4-aminocyclooctyl)carbamate (CID 147656644) is tert-butyl N-(4-aminocyclooctyl)carbamate.
What is the SMILES notation for tert-butyl N-(4-aminocyclooctyl)carbamate?
The canonical SMILES for tert-butyl N-(4-aminocyclooctyl)carbamate is CC(C)(C)OC(=O)NC1CCCCC(N)CC1.
What is the InChIKey of tert-butyl N-(4-aminocyclooctyl)carbamate?
The InChIKey is VJEBHQOIPGRCCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2O2/c1-13(2,3)17-12(16)15-11-7-5-4-6-10(14)8-9-11/h10-11H,4-9,14H2,1-3H3,(H,15,16).
What are the key properties of tert-butyl N-(4-aminocyclooctyl)carbamate?
tert-butyl N-(4-aminocyclooctyl)carbamate has a molecular weight of 242.36 g/mol, XLogP of 2.56, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(4-aminocyclooctyl)carbamate is sourced from PubChem (CID 147656644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).