5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide

C11H21N3O — CID 66392118

IUPAC5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide
SMILES[H]/N=C(\N)CCCCN1CC2CCC(C1)O2
InChIInChI=1S/C11H21N3O/c12-11(13)3-1-2-6-14-7-9-4-5-10(8-14)15-9/h9-10H,1-8H2,(H3,12,13)
InChIKeyKACKMBHMZVCMLZ-UHFFFAOYSA-N
MW211.31 g/mol
LogP0.96
Rot. Bonds5

About 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide

5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide (PubChem CID 66392118) has the molecular formula C11H21N3O and a molecular weight of 211.31 g/mol. Its IUPAC name is 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide.

Molecular Properties

Compound Name5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide
PubChem CID66392118
Molecular FormulaC11H21N3O
Molecular Weight211.31 g/mol
Exact Mass211.17
IUPAC Name5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide
SMILES[H]/N=C(\N)CCCCN1CC2CCC(C1)O2
InChIInChI=1S/C11H21N3O/c12-11(13)3-1-2-6-14-7-9-4-5-10(8-14)15-9/h9-10H,1-8H2,(H3,12,13)
InChIKeyKACKMBHMZVCMLZ-UHFFFAOYSA-N
XLogP0.96
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3,3,3-Trifluoro-2-(8-oxa-3-azabicyclo[3.2.1]octan-3-ylmethyl)propanimidamide
CID 103370777
6-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)hexan-1-amine
CID 66371997
4-(8-Oxa-3-azabicyclo[3.2.1]octan-3-yl)butan-1-amine
CID 66391869
3-[Methyl(oxolan-2-ylmethyl)amino]propanimidamide
CID 43186267
4-[Methyl(oxolan-2-ylmethyl)amino]butanimidamide
CID 61432479
4-[Ethyl(oxolan-2-ylmethyl)amino]butanimidamide
CID 61434118
3-[Ethyl(oxolan-2-ylmethyl)amino]propanimidamide
CID 61434863
1-(Oxolan-2-ylmethyl)piperidin-2-imine
CID 61522998
5-[Methyl(oxolan-2-ylmethyl)amino]pentanimidamide
CID 61524806
5-[Ethyl(oxolan-2-ylmethyl)amino]pentanimidamide
CID 61524844
1-(Oxolan-2-ylmethyl)piperidine-4-carboximidamide
CID 64427291
1-(Oxolan-2-ylmethyl)piperidine-3-carboximidamide
CID 64443483

Frequently Asked Questions

What is the IUPAC name of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide?
The IUPAC name of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide (CID 66392118) is 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide.
What is the SMILES notation for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide?
The canonical SMILES for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide is [H]/N=C(\N)CCCCN1CC2CCC(C1)O2.
What is the InChIKey of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide?
The InChIKey is KACKMBHMZVCMLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O/c12-11(13)3-1-2-6-14-7-9-4-5-10(8-14)15-9/h9-10H,1-8H2,(H3,12,13).
What are the key properties of 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide?
5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide has a molecular weight of 211.31 g/mol, XLogP of 0.96, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pentanimidamide is sourced from PubChem (CID 66392118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).