N-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

C16H32N2O — CID 64600843

IUPACN-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCOCCC(C)NC1C2CCCC1CN(C(C)C)C2
InChIInChI=1S/C16H32N2O/c1-12(2)18-10-14-6-5-7-15(11-18)16(14)17-13(3)8-9-19-4/h12-17H,5-11H2,1-4H3
InChIKeyIIMZIMJSZDJOKH-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.51
Rot. Bonds6

About N-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine

N-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (PubChem CID 64600843) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is N-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.

Molecular Properties

Compound NameN-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
PubChem CID64600843
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC NameN-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine
SMILESCOCCC(C)NC1C2CCCC1CN(C(C)C)C2
InChIInChI=1S/C16H32N2O/c1-12(2)18-10-14-6-5-7-15(11-18)16(14)17-13(3)8-9-19-4/h12-17H,5-11H2,1-4H3
InChIKeyIIMZIMJSZDJOKH-UHFFFAOYSA-N
XLogP2.51
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The IUPAC name of N-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine (CID 64600843) is N-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine.
What is the SMILES notation for N-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The canonical SMILES for N-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is COCCC(C)NC1C2CCCC1CN(C(C)C)C2.
What is the InChIKey of N-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
The InChIKey is IIMZIMJSZDJOKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-12(2)18-10-14-6-5-7-15(11-18)16(14)17-13(3)8-9-19-4/h12-17H,5-11H2,1-4H3.
What are the key properties of N-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine?
N-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine has a molecular weight of 268.44 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxybutan-2-yl)-3-propan-2-yl-3-azabicyclo[3.3.1]nonan-9-amine is sourced from PubChem (CID 64600843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).