3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide

C11H21N3O — CID 66392705

IUPAC3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CC2CCC(C1)O2
InChIInChI=1S/C11H21N3O/c1-2-8(5-11(12)13)14-6-9-3-4-10(7-14)15-9/h8-10H,2-7H2,1H3,(H3,12,13)
InChIKeyGURQPWFDXDKTFD-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.95
Rot. Bonds4

About 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide

3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide (PubChem CID 66392705) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide.

Molecular Properties

Compound Name3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide
PubChem CID66392705
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide
SMILES[H]/N=C(\N)CC(CC)N1CC2CCC(C1)O2
InChIInChI=1S/C11H21N3O/c1-2-8(5-11(12)13)14-6-9-3-4-10(7-14)15-9/h8-10H,2-7H2,1H3,(H3,12,13)
InChIKeyGURQPWFDXDKTFD-UHFFFAOYSA-N
XLogP0.95
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide?
The IUPAC name of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide (CID 66392705) is 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide.
What is the SMILES notation for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide?
The canonical SMILES for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide is [H]/N=C(\N)CC(CC)N1CC2CCC(C1)O2.
What is the InChIKey of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide?
The InChIKey is GURQPWFDXDKTFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c1-2-8(5-11(12)13)14-6-9-3-4-10(7-14)15-9/h8-10H,2-7H2,1H3,(H3,12,13).
What are the key properties of 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide?
3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide has a molecular weight of 211.31 g/mol, XLogP of 0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide is sourced from PubChem (CID 66392705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).