N-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

C15H30N2O — CID 54957813

IUPACN-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(CCOC(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C15H30N2O/c1-4-7-17(8-9-18-12(2)3)15-10-13-5-6-14(11-15)16-13/h12-16H,4-11H2,1-3H3
InChIKeyAAWXCKZYOKEOMG-UHFFFAOYSA-N
MW254.42 g/mol
LogP2.41
Rot. Bonds7

About N-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine

N-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (PubChem CID 54957813) has the molecular formula C15H30N2O and a molecular weight of 254.42 g/mol. Its IUPAC name is N-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.

Molecular Properties

Compound NameN-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
PubChem CID54957813
Molecular FormulaC15H30N2O
Molecular Weight254.42 g/mol
Exact Mass254.24
IUPAC NameN-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine
SMILESCCCN(CCOC(C)C)C1CC2CCC(C1)N2
InChIInChI=1S/C15H30N2O/c1-4-7-17(8-9-18-12(2)3)15-10-13-5-6-14(11-15)16-13/h12-16H,4-11H2,1-3H3
InChIKeyAAWXCKZYOKEOMG-UHFFFAOYSA-N
XLogP2.41
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.42
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The IUPAC name of N-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine (CID 54957813) is N-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine.
What is the SMILES notation for N-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The canonical SMILES for N-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is CCCN(CCOC(C)C)C1CC2CCC(C1)N2.
What is the InChIKey of N-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
The InChIKey is AAWXCKZYOKEOMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30N2O/c1-4-7-17(8-9-18-12(2)3)15-10-13-5-6-14(11-15)16-13/h12-16H,4-11H2,1-3H3.
What are the key properties of N-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine?
N-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine has a molecular weight of 254.42 g/mol, XLogP of 2.41, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-propan-2-yloxyethyl)-N-propyl-8-azabicyclo[3.2.1]octan-3-amine is sourced from PubChem (CID 54957813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).