N'-cyclopropyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboximidamide

C10H17N3O — CID 66369505

IUPACN'-cyclopropyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboximidamide
SMILESN/C(=N\C1CC1)N1CC2CCC(C1)O2
InChIInChI=1S/C10H17N3O/c11-10(12-7-1-2-7)13-5-8-3-4-9(6-13)14-8/h7-9H,1-6H2,(H2,11,12)
InChIKeySRFOVPYSCNRCRO-UHFFFAOYSA-N
MW195.27 g/mol
LogP0.33
Rot. Bonds1

About N'-cyclopropyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboximidamide

N'-cyclopropyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboximidamide (PubChem CID 66369505) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is N'-cyclopropyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboximidamide
PubChem CID66369505
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC NameN'-cyclopropyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboximidamide
SMILESN/C(=N\C1CC1)N1CC2CCC(C1)O2
InChIInChI=1S/C10H17N3O/c11-10(12-7-1-2-7)13-5-8-3-4-9(6-13)14-8/h7-9H,1-6H2,(H2,11,12)
InChIKeySRFOVPYSCNRCRO-UHFFFAOYSA-N
XLogP0.33
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 50.33
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 N'-cyclopropyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboximidamide?
The IUPAC name of N'-cyclopropyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboximidamide (CID 66369505) is N'-cyclopropyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboximidamide?
The canonical SMILES for N'-cyclopropyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboximidamide is N/C(=N\C1CC1)N1CC2CCC(C1)O2.
What is the InChIKey of N'-cyclopropyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboximidamide?
The InChIKey is SRFOVPYSCNRCRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-10(12-7-1-2-7)13-5-8-3-4-9(6-13)14-8/h7-9H,1-6H2,(H2,11,12).
What are the key properties of N'-cyclopropyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboximidamide?
N'-cyclopropyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboximidamide has a molecular weight of 195.27 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-8-oxa-3-azabicyclo[3.2.1]octane-3-carboximidamide is sourced from PubChem (CID 66369505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).