[3-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-8-yl] hydrogen carbonate

C10H18N2O3 — CID 142656301

IUPAC[3-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-8-yl] hydrogen carbonate
SMILESNCCC1CC2CCC(C1)N2OC(=O)O
InChIInChI=1S/C10H18N2O3/c11-4-3-7-5-8-1-2-9(6-7)12(8)15-10(13)14/h7-9H,1-6,11H2,(H,13,14)
InChIKeyWKIVSAPMJWWQKM-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.19
Rot. Bonds3

About [3-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-8-yl] hydrogen carbonate

[3-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-8-yl] hydrogen carbonate (PubChem CID 142656301) has the molecular formula C10H18N2O3 and a molecular weight of 214.26 g/mol. Its IUPAC name is [3-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-8-yl] hydrogen carbonate.

Molecular Properties

Compound Name[3-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-8-yl] hydrogen carbonate
PubChem CID142656301
Molecular FormulaC10H18N2O3
Molecular Weight214.26 g/mol
Exact Mass214.13
IUPAC Name[3-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-8-yl] hydrogen carbonate
SMILESNCCC1CC2CCC(C1)N2OC(=O)O
InChIInChI=1S/C10H18N2O3/c11-4-3-7-5-8-1-2-9(6-7)12(8)15-10(13)14/h7-9H,1-6,11H2,(H,13,14)
InChIKeyWKIVSAPMJWWQKM-UHFFFAOYSA-N
XLogP1.19
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [3-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-8-yl] hydrogen carbonate with MolForge

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Related Compounds

8-Azabicyclo[3.2.1]octan-3-ylmethylcarbamic acid
CID 17966355
3-(Aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 22135668
[1-(8-Azabicyclo[3.2.1]octan-3-yl)-2-methylpropan-2-yl]carbamic acid
CID 68744261
(1S,5R)-3-(2-aminoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 69945428
3-(2-Aminoethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 69945429
[(1S,5R)-8-azabicyclo[3.2.1]octan-3-yl]methylcarbamic acid
CID 126736594
(1S,5R)-3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 126736683
[3-(Cyanomethyl)-8-azabicyclo[3.2.1]octan-8-yl] hydrogen carbonate
CID 142656302
[5-Amino-5-(8-azabicyclo[3.2.1]octan-3-yl)pentyl]boronic acid;carbon dioxide
CID 159822906
(5S)-3-(aminomethyl)-8-azabicyclo[3.2.1]octane-8-carboxylic acid
CID 177768572
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methoxy-2-methylpropan-1-amine
CID 114277141
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-methoxy-N-methylethanamine
CID 114396571

Frequently Asked Questions

What is the IUPAC name of [3-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-8-yl] hydrogen carbonate?
The IUPAC name of [3-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-8-yl] hydrogen carbonate (CID 142656301) is [3-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-8-yl] hydrogen carbonate.
What is the SMILES notation for [3-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-8-yl] hydrogen carbonate?
The canonical SMILES for [3-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-8-yl] hydrogen carbonate is NCCC1CC2CCC(C1)N2OC(=O)O.
What is the InChIKey of [3-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-8-yl] hydrogen carbonate?
The InChIKey is WKIVSAPMJWWQKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O3/c11-4-3-7-5-8-1-2-9(6-7)12(8)15-10(13)14/h7-9H,1-6,11H2,(H,13,14).
What are the key properties of [3-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-8-yl] hydrogen carbonate?
[3-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-8-yl] hydrogen carbonate has a molecular weight of 214.26 g/mol, XLogP of 1.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminoethyl)-8-azabicyclo[3.2.1]octan-8-yl] hydrogen carbonate is sourced from PubChem (CID 142656301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).