N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methoxy-2-methylpropan-1-amine

C14H28N2O — CID 114277141

IUPACN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methoxy-2-methylpropan-1-amine
SMILESCON(CCC1CC2CCC(C1)N2)CC(C)C
InChIInChI=1S/C14H28N2O/c1-11(2)10-16(17-3)7-6-12-8-13-4-5-14(9-12)15-13/h11-15H,4-10H2,1-3H3
InChIKeyVSQTXNZHSXTFCD-UHFFFAOYSA-N
MW240.39 g/mol
LogP2.43
Rot. Bonds6

About N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methoxy-2-methylpropan-1-amine

N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methoxy-2-methylpropan-1-amine (PubChem CID 114277141) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methoxy-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methoxy-2-methylpropan-1-amine
PubChem CID114277141
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC NameN-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methoxy-2-methylpropan-1-amine
SMILESCON(CCC1CC2CCC(C1)N2)CC(C)C
InChIInChI=1S/C14H28N2O/c1-11(2)10-16(17-3)7-6-12-8-13-4-5-14(9-12)15-13/h11-15H,4-10H2,1-3H3
InChIKeyVSQTXNZHSXTFCD-UHFFFAOYSA-N
XLogP2.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methoxy-2-methylpropan-1-amine?
The IUPAC name of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methoxy-2-methylpropan-1-amine (CID 114277141) is N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methoxy-2-methylpropan-1-amine.
What is the SMILES notation for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methoxy-2-methylpropan-1-amine?
The canonical SMILES for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methoxy-2-methylpropan-1-amine is CON(CCC1CC2CCC(C1)N2)CC(C)C.
What is the InChIKey of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methoxy-2-methylpropan-1-amine?
The InChIKey is VSQTXNZHSXTFCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)10-16(17-3)7-6-12-8-13-4-5-14(9-12)15-13/h11-15H,4-10H2,1-3H3.
What are the key properties of N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methoxy-2-methylpropan-1-amine?
N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methoxy-2-methylpropan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(8-azabicyclo[3.2.1]octan-3-yl)ethyl]-N-methoxy-2-methylpropan-1-amine is sourced from PubChem (CID 114277141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).