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

C11H22N2O — CID 54375799

IUPACN,N-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
SMILESCN(C)CCCN1CC2CCC(C1)O2
InChIInChI=1S/C11H22N2O/c1-12(2)6-3-7-13-8-10-4-5-11(9-13)14-10/h10-11H,3-9H2,1-2H3
InChIKeyUWKHPWWAPDSZHR-UHFFFAOYSA-N
MW198.31 g/mol
LogP0.80
Rot. Bonds4

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

N,N-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine (PubChem CID 54375799) has the molecular formula C11H22N2O and a molecular weight of 198.31 g/mol. Its IUPAC name is N,N-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
PubChem CID54375799
Molecular FormulaC11H22N2O
Molecular Weight198.31 g/mol
Exact Mass198.17
IUPAC NameN,N-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine
SMILESCN(C)CCCN1CC2CCC(C1)O2
InChIInChI=1S/C11H22N2O/c1-12(2)6-3-7-13-8-10-4-5-11(9-13)14-10/h10-11H,3-9H2,1-2H3
InChIKeyUWKHPWWAPDSZHR-UHFFFAOYSA-N
XLogP0.80
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
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-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine?
The IUPAC name of N,N-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine (CID 54375799) is N,N-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine is CN(C)CCCN1CC2CCC(C1)O2.
What is the InChIKey of N,N-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine?
The InChIKey is UWKHPWWAPDSZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O/c1-12(2)6-3-7-13-8-10-4-5-11(9-13)14-10/h10-11H,3-9H2,1-2H3.
What are the key properties of N,N-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine?
N,N-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine has a molecular weight of 198.31 g/mol, XLogP of 0.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-amine is sourced from PubChem (CID 54375799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).