N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-N-methylpropanamide;hydrochloride

C11H20Cl2N2O — CID 146083069

IUPACN-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-N-methylpropanamide;hydrochloride
SMILESCC(Cl)C(=O)N(C)C1CN2CCC1CC2.Cl
InChIInChI=1S/C11H19ClN2O.ClH/c1-8(12)11(15)13(2)10-7-14-5-3-9(10)4-6-14;/h8-10H,3-7H2,1-2H3;1H
InChIKeyUWIZZWBRONTMSF-UHFFFAOYSA-N
MW267.20 g/mol
LogP1.59
Rot. Bonds2

About N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-N-methylpropanamide;hydrochloride

N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-N-methylpropanamide;hydrochloride (PubChem CID 146083069) has the molecular formula C11H20Cl2N2O and a molecular weight of 267.20 g/mol. Its IUPAC name is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-N-methylpropanamide;hydrochloride.

Molecular Properties

Compound NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-N-methylpropanamide;hydrochloride
PubChem CID146083069
Molecular FormulaC11H20Cl2N2O
Molecular Weight267.20 g/mol
Exact Mass266.10
IUPAC NameN-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-N-methylpropanamide;hydrochloride
SMILESCC(Cl)C(=O)N(C)C1CN2CCC1CC2.Cl
InChIInChI=1S/C11H19ClN2O.ClH/c1-8(12)11(15)13(2)10-7-14-5-3-9(10)4-6-14;/h8-10H,3-7H2,1-2H3;1H
InChIKeyUWIZZWBRONTMSF-UHFFFAOYSA-N
XLogP1.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.20
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-N-methylpropanamide;hydrochloride?
The IUPAC name of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-N-methylpropanamide;hydrochloride (CID 146083069) is N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-N-methylpropanamide;hydrochloride.
What is the SMILES notation for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-N-methylpropanamide;hydrochloride?
The canonical SMILES for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-N-methylpropanamide;hydrochloride is CC(Cl)C(=O)N(C)C1CN2CCC1CC2.Cl.
What is the InChIKey of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-N-methylpropanamide;hydrochloride?
The InChIKey is UWIZZWBRONTMSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN2O.ClH/c1-8(12)11(15)13(2)10-7-14-5-3-9(10)4-6-14;/h8-10H,3-7H2,1-2H3;1H.
What are the key properties of N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-N-methylpropanamide;hydrochloride?
N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-N-methylpropanamide;hydrochloride has a molecular weight of 267.20 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-azabicyclo[2.2.2]octan-3-yl)-2-chloro-N-methylpropanamide;hydrochloride is sourced from PubChem (CID 146083069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).