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

C14H26N2O — CID 81005499

IUPACN-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1N1CC2CCC(C1)O2
InChIInChI=1S/C14H26N2O/c1-2-7-15-8-11-3-6-14(11)16-9-12-4-5-13(10-16)17-12/h11-15H,2-10H2,1H3
InChIKeyYUZIEMIONPGOPY-UHFFFAOYSA-N
MW238.37 g/mol
LogP1.63
Rot. Bonds5

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

N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methyl]propan-1-amine (PubChem CID 81005499) has the molecular formula C14H26N2O and a molecular weight of 238.37 g/mol. Its IUPAC name is N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methyl]propan-1-amine
PubChem CID81005499
Molecular FormulaC14H26N2O
Molecular Weight238.37 g/mol
Exact Mass238.20
IUPAC NameN-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methyl]propan-1-amine
SMILESCCCNCC1CCC1N1CC2CCC(C1)O2
InChIInChI=1S/C14H26N2O/c1-2-7-15-8-11-3-6-14(11)16-9-12-4-5-13(10-16)17-12/h11-15H,2-10H2,1H3
InChIKeyYUZIEMIONPGOPY-UHFFFAOYSA-N
XLogP1.63
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.37
LogP ≤ 51.63
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 N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methyl]propan-1-amine?
The IUPAC name of N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methyl]propan-1-amine (CID 81005499) is N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methyl]propan-1-amine?
The canonical SMILES for N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methyl]propan-1-amine is CCCNCC1CCC1N1CC2CCC(C1)O2.
What is the InChIKey of N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methyl]propan-1-amine?
The InChIKey is YUZIEMIONPGOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2O/c1-2-7-15-8-11-3-6-14(11)16-9-12-4-5-13(10-16)17-12/h11-15H,2-10H2,1H3.
What are the key properties of N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methyl]propan-1-amine?
N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methyl]propan-1-amine has a molecular weight of 238.37 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)cyclobutyl]methyl]propan-1-amine is sourced from PubChem (CID 81005499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).