N,N-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine

C11H22N2O — CID 134603165

IUPACN,N-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine
SMILESCC(CN(C)C)N1C2CCC1COC2
InChIInChI=1S/C11H22N2O/c1-9(6-12(2)3)13-10-4-5-11(13)8-14-7-10/h9-11H,4-8H2,1-3H3
InChIKeyQTXWYEKBPASOHB-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.80
Rot. Bonds3

About N,N-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine

N,N-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine (PubChem CID 134603165) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N,N-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine
PubChem CID134603165
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN,N-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine
SMILESCC(CN(C)C)N1C2CCC1COC2
InChIInChI=1S/C11H22N2O/c1-9(6-12(2)3)13-10-4-5-11(13)8-14-7-10/h9-11H,4-8H2,1-3H3
InChIKeyQTXWYEKBPASOHB-UHFFFAOYSA-N
XLogP0.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine (CID 134603165) is N,N-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine is CC(CN(C)C)N1C2CCC1COC2.
What is the InChIKey of N,N-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine?
The InChIKey is QTXWYEKBPASOHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-9(6-12(2)3)13-10-4-5-11(13)8-14-7-10/h9-11H,4-8H2,1-3H3.
What are the key properties of N,N-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine?
N,N-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.80, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-(3-oxa-8-azabicyclo[3.2.1]octan-8-yl)propan-1-amine is sourced from PubChem (CID 134603165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).