2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide

C10H19N3O — CID 66392511

IUPAC2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)CN1CC2CCC(C1)O2
InChIInChI=1S/C10H19N3O/c1-7(10(11)12)4-13-5-8-2-3-9(6-13)14-8/h7-9H,2-6H2,1H3,(H3,11,12)
InChIKeyHZFDRWFKMBZFRT-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.42
Rot. Bonds3

About 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide

2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide (PubChem CID 66392511) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide.

Molecular Properties

Compound Name2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide
PubChem CID66392511
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide
SMILES[H]/N=C(\N)C(C)CN1CC2CCC(C1)O2
InChIInChI=1S/C10H19N3O/c1-7(10(11)12)4-13-5-8-2-3-9(6-13)14-8/h7-9H,2-6H2,1H3,(H3,11,12)
InChIKeyHZFDRWFKMBZFRT-UHFFFAOYSA-N
XLogP0.42
TPSA62.34 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.42
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 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide?
The IUPAC name of 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide (CID 66392511) is 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide.
What is the SMILES notation for 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide?
The canonical SMILES for 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide is [H]/N=C(\N)C(C)CN1CC2CCC(C1)O2.
What is the InChIKey of 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide?
The InChIKey is HZFDRWFKMBZFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-7(10(11)12)4-13-5-8-2-3-9(6-13)14-8/h7-9H,2-6H2,1H3,(H3,11,12).
What are the key properties of 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide?
2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide has a molecular weight of 197.28 g/mol, XLogP of 0.42, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)propanimidamide is sourced from PubChem (CID 66392511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).