N-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine

C12H24N2O — CID 105364511

IUPACN-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCCOCC(C)NC1CCN2CCC1C2
InChIInChI=1S/C12H24N2O/c1-3-15-9-10(2)13-12-5-7-14-6-4-11(12)8-14/h10-13H,3-9H2,1-2H3
InChIKeyGCKPQARNUGFOND-UHFFFAOYSA-N
MW212.34 g/mol
LogP1.10
Rot. Bonds5

About N-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine

N-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine (PubChem CID 105364511) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is N-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine.

Molecular Properties

Compound NameN-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
PubChem CID105364511
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC NameN-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine
SMILESCCOCC(C)NC1CCN2CCC1C2
InChIInChI=1S/C12H24N2O/c1-3-15-9-10(2)13-12-5-7-14-6-4-11(12)8-14/h10-13H,3-9H2,1-2H3
InChIKeyGCKPQARNUGFOND-UHFFFAOYSA-N
XLogP1.10
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-{[1-(2-Methoxyethyl)pyrrolidin-3-YL]methyl}-N-methylpiperidin-4-amine
CID 56700791
7-(2-Methoxyethyl)-2,7-diazaspiro[4.5]decane
CID 56882262
N-[2-(2,2-difluoroethoxy)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 105905468
N-[2-(2,2,2-trifluoroethoxy)ethyl]-1-azabicyclo[3.2.1]octan-4-amine
CID 113708000
4-(5,5-Dimethyl-3-pyrrolidinyl)morpholine
CID 53654667
4-[(2R,3S)-2-tert-butylpyrrolidin-3-yl]morpholine
CID 71122389
8-(2-Methoxyethyl)-3,8-diazabicyclo[3.2.1]octane
CID 84618280
(1S,5R)-8-(2-methoxyethyl)-3,8-diazabicyclo[3.2.1]octane
CID 97513839
N-methyl-3-[(4-methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine
CID 123571942
3-[(4-Methylmorpholin-4-ium-4-yl)methyl]cyclopentan-1-amine
CID 126540051
4-(2-Methyl-3-pyrrolidin-2-ylpropyl)-3-propylmorpholine
CID 130207405
4-[2-(Azepan-4-yl)ethyl]morpholine
CID 131340837

Frequently Asked Questions

What is the IUPAC name of N-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine?
The IUPAC name of N-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine (CID 105364511) is N-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine.
What is the SMILES notation for N-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine?
The canonical SMILES for N-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine is CCOCC(C)NC1CCN2CCC1C2.
What is the InChIKey of N-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine?
The InChIKey is GCKPQARNUGFOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O/c1-3-15-9-10(2)13-12-5-7-14-6-4-11(12)8-14/h10-13H,3-9H2,1-2H3.
What are the key properties of N-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine?
N-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine has a molecular weight of 212.34 g/mol, XLogP of 1.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethoxypropan-2-yl)-1-azabicyclo[3.2.1]octan-4-amine is sourced from PubChem (CID 105364511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).