N'-cyclopropyl-7-azabicyclo[2.2.1]heptane-7-carboximidamide

C10H17N3 — CID 130804543

IUPACN'-cyclopropyl-7-azabicyclo[2.2.1]heptane-7-carboximidamide
SMILESN/C(=N\C1CC1)N1C2CCC1CC2
InChIInChI=1S/C10H17N3/c11-10(12-7-1-2-7)13-8-3-4-9(13)6-5-8/h7-9H,1-6H2,(H2,11,12)
InChIKeyGNMWTJAQAWSGHL-UHFFFAOYSA-N
MW179.27 g/mol
LogP1.09
Rot. Bonds1

About N'-cyclopropyl-7-azabicyclo[2.2.1]heptane-7-carboximidamide

N'-cyclopropyl-7-azabicyclo[2.2.1]heptane-7-carboximidamide (PubChem CID 130804543) has the molecular formula C10H17N3 and a molecular weight of 179.27 g/mol. Its IUPAC name is N'-cyclopropyl-7-azabicyclo[2.2.1]heptane-7-carboximidamide.

Molecular Properties

Compound NameN'-cyclopropyl-7-azabicyclo[2.2.1]heptane-7-carboximidamide
PubChem CID130804543
Molecular FormulaC10H17N3
Molecular Weight179.27 g/mol
Exact Mass179.14
IUPAC NameN'-cyclopropyl-7-azabicyclo[2.2.1]heptane-7-carboximidamide
SMILESN/C(=N\C1CC1)N1C2CCC1CC2
InChIInChI=1S/C10H17N3/c11-10(12-7-1-2-7)13-8-3-4-9(13)6-5-8/h7-9H,1-6H2,(H2,11,12)
InChIKeyGNMWTJAQAWSGHL-UHFFFAOYSA-N
XLogP1.09
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.27
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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-7-azabicyclo[2.2.1]heptane-7-carboximidamide?
The IUPAC name of N'-cyclopropyl-7-azabicyclo[2.2.1]heptane-7-carboximidamide (CID 130804543) is N'-cyclopropyl-7-azabicyclo[2.2.1]heptane-7-carboximidamide.
What is the SMILES notation for N'-cyclopropyl-7-azabicyclo[2.2.1]heptane-7-carboximidamide?
The canonical SMILES for N'-cyclopropyl-7-azabicyclo[2.2.1]heptane-7-carboximidamide is N/C(=N\C1CC1)N1C2CCC1CC2.
What is the InChIKey of N'-cyclopropyl-7-azabicyclo[2.2.1]heptane-7-carboximidamide?
The InChIKey is GNMWTJAQAWSGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3/c11-10(12-7-1-2-7)13-8-3-4-9(13)6-5-8/h7-9H,1-6H2,(H2,11,12).
What are the key properties of N'-cyclopropyl-7-azabicyclo[2.2.1]heptane-7-carboximidamide?
N'-cyclopropyl-7-azabicyclo[2.2.1]heptane-7-carboximidamide has a molecular weight of 179.27 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-7-azabicyclo[2.2.1]heptane-7-carboximidamide is sourced from PubChem (CID 130804543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).