(8-amino-3-bicyclo[3.2.1]octanyl) N-tert-butylcarbamate;hydrochloride

C13H25ClN2O2 — CID 154699047

IUPAC(8-amino-3-bicyclo[3.2.1]octanyl) N-tert-butylcarbamate;hydrochloride
SMILESCC(C)(C)NC(=O)OC1CC2CCC(C1)C2N.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-13(2,3)15-12(16)17-10-6-8-4-5-9(7-10)11(8)14;/h8-11H,4-7,14H2,1-3H3,(H,15,16);1H
InChIKeyMBUHIHFCOBOSTD-UHFFFAOYSA-N
MW276.81 g/mol
LogP2.45
Rot. Bonds1

About (8-amino-3-bicyclo[3.2.1]octanyl) N-tert-butylcarbamate;hydrochloride

(8-amino-3-bicyclo[3.2.1]octanyl) N-tert-butylcarbamate;hydrochloride (PubChem CID 154699047) has the molecular formula C13H25ClN2O2 and a molecular weight of 276.81 g/mol. Its IUPAC name is (8-amino-3-bicyclo[3.2.1]octanyl) N-tert-butylcarbamate;hydrochloride.

Molecular Properties

Compound Name(8-amino-3-bicyclo[3.2.1]octanyl) N-tert-butylcarbamate;hydrochloride
PubChem CID154699047
Molecular FormulaC13H25ClN2O2
Molecular Weight276.81 g/mol
Exact Mass276.16
IUPAC Name(8-amino-3-bicyclo[3.2.1]octanyl) N-tert-butylcarbamate;hydrochloride
SMILESCC(C)(C)NC(=O)OC1CC2CCC(C1)C2N.Cl
InChIInChI=1S/C13H24N2O2.ClH/c1-13(2,3)15-12(16)17-10-6-8-4-5-9(7-10)11(8)14;/h8-11H,4-7,14H2,1-3H3,(H,15,16);1H
InChIKeyMBUHIHFCOBOSTD-UHFFFAOYSA-N
XLogP2.45
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.81
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3-sulfanylcyclobutyl) N-tert-butylcarbamate
CID 165144304
(3-ethoxycyclopentyl) N-tert-butylcarbamate
CID 162785975
(1-carbamoylpiperidin-4-yl) N-tert-butylcarbamate
CID 90693574
[3-(hydroxymethyl)cyclohexyl] N-tert-butylcarbamate
CID 90910799
(1-ethylpiperidin-4-yl) N-tert-butylcarbamate
CID 174424226
(1-ethoxypiperidin-4-yl) N-tert-butylcarbamate
CID 175304424
[(4R)-1-methyldiazinan-4-yl] N-tert-butylcarbamate
CID 175379340
[(2E)-4-(tert-butylcarbamoyloxy)-6,7-dihydroxycyclooct-2-en-1-yl] N-tert-butylcarbamate
CID 118547647
3-amino-N-[3-(tert-butylamino)-3-oxopropyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119773936
pyrrolidin-2-yl N-tert-butylcarbamate
CID 91218699
[1-(1,1,1-trifluoropropan-2-yl)piperidin-4-yl] N-tert-butylcarbamate
CID 174969503
[4-(2-methoxyethylamino)cyclohexyl] N-tert-butylcarbamate
CID 175281282

Frequently Asked Questions

What is the IUPAC name of (8-amino-3-bicyclo[3.2.1]octanyl) N-tert-butylcarbamate;hydrochloride?
The IUPAC name of (8-amino-3-bicyclo[3.2.1]octanyl) N-tert-butylcarbamate;hydrochloride (CID 154699047) is (8-amino-3-bicyclo[3.2.1]octanyl) N-tert-butylcarbamate;hydrochloride.
What is the SMILES notation for (8-amino-3-bicyclo[3.2.1]octanyl) N-tert-butylcarbamate;hydrochloride?
The canonical SMILES for (8-amino-3-bicyclo[3.2.1]octanyl) N-tert-butylcarbamate;hydrochloride is CC(C)(C)NC(=O)OC1CC2CCC(C1)C2N.Cl.
What is the InChIKey of (8-amino-3-bicyclo[3.2.1]octanyl) N-tert-butylcarbamate;hydrochloride?
The InChIKey is MBUHIHFCOBOSTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2.ClH/c1-13(2,3)15-12(16)17-10-6-8-4-5-9(7-10)11(8)14;/h8-11H,4-7,14H2,1-3H3,(H,15,16);1H.
What are the key properties of (8-amino-3-bicyclo[3.2.1]octanyl) N-tert-butylcarbamate;hydrochloride?
(8-amino-3-bicyclo[3.2.1]octanyl) N-tert-butylcarbamate;hydrochloride has a molecular weight of 276.81 g/mol, XLogP of 2.45, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-amino-3-bicyclo[3.2.1]octanyl) N-tert-butylcarbamate;hydrochloride is sourced from PubChem (CID 154699047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).