N-methyl-N-[2-(oxolan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

C14H26N2O — CID 65161736

IUPACN-methyl-N-[2-(oxolan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(CCC1CCCO1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H26N2O/c1-16(7-6-14-3-2-8-17-14)13-9-11-4-5-12(10-13)15-11/h11-15H,2-10H2,1H3
InChIKeyXEBRFTRJTHTDMR-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.77
Rot. Bonds4

About N-methyl-N-[2-(oxolan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

N-methyl-N-[2-(oxolan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 65161736) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-methyl-N-[2-(oxolan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-N-[2-(oxolan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID65161736
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-methyl-N-[2-(oxolan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESCN(CCC1CCCO1)C1CC2CCC(C1)N2
InChIInChI=1S/C14H26N2O/c1-16(7-6-14-3-2-8-17-14)13-9-11-4-5-12(10-13)15-11/h11-15H,2-10H2,1H3
InChIKeyXEBRFTRJTHTDMR-UHFFFAOYSA-N
XLogP1.77
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(8-azabicyclo[3.2.1]octan-3-yl)-N-methyl-2-(oxolan-2-yl)acetamide
CID 65160337
(1R,5S)-N-methyl-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
CID 26189078
3-(oxolan-2-ylmethyl)-8-azabicyclo[3.2.1]octane
CID 126845754
2-bromo-N-methyl-N-[2-(oxolan-2-yl)ethyl]cyclohexan-1-amine
CID 102637312
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methyloxolan-3-amine
CID 82739082
N-(cyclobutylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 65456700
N-methyl-N-[2-(oxolan-2-yl)ethyl]-2-piperidin-4-ylethanamine
CID 66272160
N-methyl-N-(3-pyrrolidin-1-ylpropyl)-8-azabicyclo[3.2.1]octan-3-amine
CID 54960917
N-methyl-N-(2-morpholin-2-ylethyl)cyclopentanamine
CID 66428985
N-(cyclopropylmethyl)-N-methyl-8-azabicyclo[3.2.1]octan-3-amine
CID 61230844
4-[methyl-[2-(oxolan-2-yl)ethyl]amino]benzonitrile
CID 65161052
1-N,2-dimethyl-1-N-[2-(oxolan-2-yl)ethyl]propane-1,2-diamine
CID 120857063

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[2-(oxolan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-N-[2-(oxolan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 65161736) is N-methyl-N-[2-(oxolan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-N-[2-(oxolan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-N-[2-(oxolan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is CN(CCC1CCCO1)C1CC2CCC(C1)N2.
What is the InChIKey of N-methyl-N-[2-(oxolan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is XEBRFTRJTHTDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-16(7-6-14-3-2-8-17-14)13-9-11-4-5-12(10-13)15-11/h11-15H,2-10H2,1H3.
What are the key properties of N-methyl-N-[2-(oxolan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-N-[2-(oxolan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 238.37 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[2-(oxolan-2-yl)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 65161736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).