N-amino-N'-methyl-8-azabicyclo[3.2.1]octane-8-carboximidamide

C9H18N4 — CID 130815998

IUPACN-amino-N'-methyl-8-azabicyclo[3.2.1]octane-8-carboximidamide
SMILESC/N=C(\NN)N1C2CCCC1CC2
InChIInChI=1S/C9H18N4/c1-11-9(12-10)13-7-3-2-4-8(13)6-5-7/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyLOQZUJKBQCAGIY-UHFFFAOYSA-N
MW182.27 g/mol
LogP0.45
Rot. Bonds

About N-amino-N'-methyl-8-azabicyclo[3.2.1]octane-8-carboximidamide

N-amino-N'-methyl-8-azabicyclo[3.2.1]octane-8-carboximidamide (PubChem CID 130815998) has the molecular formula C9H18N4 and a molecular weight of 182.27 g/mol. Its IUPAC name is N-amino-N'-methyl-8-azabicyclo[3.2.1]octane-8-carboximidamide.

Molecular Properties

Compound NameN-amino-N'-methyl-8-azabicyclo[3.2.1]octane-8-carboximidamide
PubChem CID130815998
Molecular FormulaC9H18N4
Molecular Weight182.27 g/mol
Exact Mass182.15
IUPAC NameN-amino-N'-methyl-8-azabicyclo[3.2.1]octane-8-carboximidamide
SMILESC/N=C(\NN)N1C2CCCC1CC2
InChIInChI=1S/C9H18N4/c1-11-9(12-10)13-7-3-2-4-8(13)6-5-7/h7-8H,2-6,10H2,1H3,(H,11,12)
InChIKeyLOQZUJKBQCAGIY-UHFFFAOYSA-N
XLogP0.45
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-amino-N'-methyl-8-azabicyclo[3.2.1]octane-8-carboximidamide?
The IUPAC name of N-amino-N'-methyl-8-azabicyclo[3.2.1]octane-8-carboximidamide (CID 130815998) is N-amino-N'-methyl-8-azabicyclo[3.2.1]octane-8-carboximidamide.
What is the SMILES notation for N-amino-N'-methyl-8-azabicyclo[3.2.1]octane-8-carboximidamide?
The canonical SMILES for N-amino-N'-methyl-8-azabicyclo[3.2.1]octane-8-carboximidamide is C/N=C(\NN)N1C2CCCC1CC2.
What is the InChIKey of N-amino-N'-methyl-8-azabicyclo[3.2.1]octane-8-carboximidamide?
The InChIKey is LOQZUJKBQCAGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N4/c1-11-9(12-10)13-7-3-2-4-8(13)6-5-7/h7-8H,2-6,10H2,1H3,(H,11,12).
What are the key properties of N-amino-N'-methyl-8-azabicyclo[3.2.1]octane-8-carboximidamide?
N-amino-N'-methyl-8-azabicyclo[3.2.1]octane-8-carboximidamide has a molecular weight of 182.27 g/mol, XLogP of 0.45, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-methyl-8-azabicyclo[3.2.1]octane-8-carboximidamide is sourced from PubChem (CID 130815998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).