N-methyl-8-[2-(2-methylprop-2-enoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine

C14H26N2O — CID 114469662

IUPACN-methyl-8-[2-(2-methylprop-2-enoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESC=C(C)COCCN1C2CCC1CC(NC)C2
InChIInChI=1S/C14H26N2O/c1-11(2)10-17-7-6-16-13-4-5-14(16)9-12(8-13)15-3/h12-15H,1,4-10H2,2-3H3
InChIKeyMDDUPYZHACJCGV-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.79
Rot. Bonds6

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

N-methyl-8-[2-(2-methylprop-2-enoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 114469662) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-methyl-8-[2-(2-methylprop-2-enoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-methyl-8-[2-(2-methylprop-2-enoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID114469662
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-methyl-8-[2-(2-methylprop-2-enoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine
SMILESC=C(C)COCCN1C2CCC1CC(NC)C2
InChIInChI=1S/C14H26N2O/c1-11(2)10-17-7-6-16-13-4-5-14(16)9-12(8-13)15-3/h12-15H,1,4-10H2,2-3H3
InChIKeyMDDUPYZHACJCGV-UHFFFAOYSA-N
XLogP1.79
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methyl-8-[2-(2-methylprop-2-enoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-methyl-8-[2-(2-methylprop-2-enoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine (CID 114469662) is N-methyl-8-[2-(2-methylprop-2-enoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-methyl-8-[2-(2-methylprop-2-enoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-methyl-8-[2-(2-methylprop-2-enoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is C=C(C)COCCN1C2CCC1CC(NC)C2.
What is the InChIKey of N-methyl-8-[2-(2-methylprop-2-enoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is MDDUPYZHACJCGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-11(2)10-17-7-6-16-13-4-5-14(16)9-12(8-13)15-3/h12-15H,1,4-10H2,2-3H3.
What are the key properties of N-methyl-8-[2-(2-methylprop-2-enoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine?
N-methyl-8-[2-(2-methylprop-2-enoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 238.37 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-8-[2-(2-methylprop-2-enoxy)ethyl]-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 114469662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).