3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine

C14H28N2O — CID 66370840

IUPAC3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine
SMILESCC(C)CCNCC(C)N1CC2CCC(C1)O2
InChIInChI=1S/C14H28N2O/c1-11(2)6-7-15-8-12(3)16-9-13-4-5-14(10-16)17-13/h11-15H,4-10H2,1-3H3
InChIKeyNPJVLXWSVYPQOA-UHFFFAOYSA-N
MW240.39 g/mol
LogP1.87
Rot. Bonds6

About 3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine

3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine (PubChem CID 66370840) has the molecular formula C14H28N2O and a molecular weight of 240.39 g/mol. Its IUPAC name is 3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine.

Molecular Properties

Compound Name3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine
PubChem CID66370840
Molecular FormulaC14H28N2O
Molecular Weight240.39 g/mol
Exact Mass240.22
IUPAC Name3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine
SMILESCC(C)CCNCC(C)N1CC2CCC(C1)O2
InChIInChI=1S/C14H28N2O/c1-11(2)6-7-15-8-12(3)16-9-13-4-5-14(10-16)17-13/h11-15H,4-10H2,1-3H3
InChIKeyNPJVLXWSVYPQOA-UHFFFAOYSA-N
XLogP1.87
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 ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine?
The IUPAC name of 3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine (CID 66370840) is 3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine.
What is the SMILES notation for 3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine?
The canonical SMILES for 3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine is CC(C)CCNCC(C)N1CC2CCC(C1)O2.
What is the InChIKey of 3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine?
The InChIKey is NPJVLXWSVYPQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N2O/c1-11(2)6-7-15-8-12(3)16-9-13-4-5-14(10-16)17-13/h11-15H,4-10H2,1-3H3.
What are the key properties of 3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine?
3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine has a molecular weight of 240.39 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propyl]butan-1-amine is sourced from PubChem (CID 66370840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).