tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride

C14H27ClN2O2 — CID 155895653

IUPACtert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CCC2(CC1)CC(N)C2.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-13(2,3)18-12(17)16-11-4-6-14(7-5-11)8-10(15)9-14;/h10-11H,4-9,15H2,1-3H3,(H,16,17);1H
InChIKeyXDKPYPILXOYRPP-UHFFFAOYSA-N
MW290.84 g/mol
LogP2.98
Rot. Bonds1

About tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride

tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride (PubChem CID 155895653) has the molecular formula C14H27ClN2O2 and a molecular weight of 290.84 g/mol. Its IUPAC name is tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride.

Molecular Properties

Compound Nametert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride
PubChem CID155895653
Molecular FormulaC14H27ClN2O2
Molecular Weight290.84 g/mol
Exact Mass290.18
IUPAC Nametert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride
SMILESCC(C)(C)OC(=O)NC1CCC2(CC1)CC(N)C2.Cl
InChIInChI=1S/C14H26N2O2.ClH/c1-13(2,3)18-12(17)16-11-4-6-14(7-5-11)8-10(15)9-14;/h10-11H,4-9,15H2,1-3H3,(H,16,17);1H
InChIKeyXDKPYPILXOYRPP-UHFFFAOYSA-N
XLogP2.98
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.84
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

tert-butyl N-(6-aminospiro[3.3]heptan-2-yl)carbamate;hydrochloride
CID 146082168
tert-butyl N-(2-aminospiro[3.5]nonan-8-yl)carbamate;hydrochloride
CID 155894270
6-aminospiro[3.3]heptan-2-ol;tert-butyl N-(2-hydroxyspiro[3.3]heptan-6-yl)carbamate;dihydrochloride
CID 157204517
tert-butyl N-(4-aminocyclohexyl)carbamate;dihydrochloride
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tert-butyl N-[4-(4-amino-1-hydroxycyclohexyl)-4-hydroxycyclohexyl]carbamate
CID 174975403
tert-butyl N-(2-oxospiro[3.5]nonan-7-yl)carbamate
CID 130068094
tert-butyl N-spiro[3.3]heptan-2-ylcarbamate
CID 129317691
tert-butyl N-(2-ethyl-2-azaspiro[3.3]heptan-6-yl)carbamate;2-ethyl-2-azaspiro[3.3]heptan-6-amine;hydrochloride
CID 160978622
tert-butyl N-(3-aminocyclopentyl)carbamate;hydrochloride
CID 45156792
tert-butyl N-[(1R)-3,3-difluorocyclopentyl]carbamate
CID 58484972
tert-butyl N-(2-azaspiro[3.3]heptan-6-yl)carbamate;hydrochloride
CID 86767491
tert-butyl N-(4-aminocyclooctyl)carbamate
CID 147656644

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride?
The IUPAC name of tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride (CID 155895653) is tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride.
What is the SMILES notation for tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride?
The canonical SMILES for tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride is CC(C)(C)OC(=O)NC1CCC2(CC1)CC(N)C2.Cl.
What is the InChIKey of tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride?
The InChIKey is XDKPYPILXOYRPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O2.ClH/c1-13(2,3)18-12(17)16-11-4-6-14(7-5-11)8-10(15)9-14;/h10-11H,4-9,15H2,1-3H3,(H,16,17);1H.
What are the key properties of tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride?
tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride has a molecular weight of 290.84 g/mol, XLogP of 2.98, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-(2-aminospiro[3.5]nonan-7-yl)carbamate;hydrochloride is sourced from PubChem (CID 155895653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).