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

C10H18N2O — CID 66370730

IUPAC2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-imine
SMILES[H]/N=C(\C(C)C)N1CC2CCC(C1)O2
InChIInChI=1S/C10H18N2O/c1-7(2)10(11)12-5-8-3-4-9(6-12)13-8/h7-9,11H,3-6H2,1-2H3/b11-10+
InChIKeyDIEHOCLGCITDDB-ZHACJKMWSA-N
MW182.27 g/mol
LogP1.48
Rot. Bonds1

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

2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-imine (PubChem CID 66370730) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-imine.

Molecular Properties

Compound Name2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-imine
PubChem CID66370730
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-imine
SMILES[H]/N=C(\C(C)C)N1CC2CCC(C1)O2
InChIInChI=1S/C10H18N2O/c1-7(2)10(11)12-5-8-3-4-9(6-12)13-8/h7-9,11H,3-6H2,1-2H3/b11-10+
InChIKeyDIEHOCLGCITDDB-ZHACJKMWSA-N
XLogP1.48
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-imine?
The IUPAC name of 2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-imine (CID 66370730) is 2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-imine.
What is the SMILES notation for 2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-imine?
The canonical SMILES for 2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-imine is [H]/N=C(\C(C)C)N1CC2CCC(C1)O2.
What is the InChIKey of 2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-imine?
The InChIKey is DIEHOCLGCITDDB-ZHACJKMWSA-N. The full InChI is InChI=1S/C10H18N2O/c1-7(2)10(11)12-5-8-3-4-9(6-12)13-8/h7-9,11H,3-6H2,1-2H3/b11-10+.
What are the key properties of 2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-imine?
2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-imine has a molecular weight of 182.27 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propan-1-imine is sourced from PubChem (CID 66370730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).