N'-methylazocane-1-carboximidamide

C9H19N3 — CID 62359325

IUPACN'-methylazocane-1-carboximidamide
SMILESCN=C(N)N1CCCCCCC1
InChIInChI=1S/C9H19N3/c1-11-9(10)12-7-5-3-2-4-6-8-12/h2-8H2,1H3,(H2,10,11)
InChIKeyLPFXRJYPMGXSFM-UHFFFAOYSA-N
MW169.27 g/mol
LogP1.10
Rot. Bonds1

About N'-methylazocane-1-carboximidamide

N'-methylazocane-1-carboximidamide (PubChem CID 62359325) has the molecular formula C9H19N3 and a molecular weight of 169.27 g/mol. Its IUPAC name is N'-methylazocane-1-carboximidamide.

Molecular Properties

Compound NameN'-methylazocane-1-carboximidamide
PubChem CID62359325
Molecular FormulaC9H19N3
Molecular Weight169.27 g/mol
Exact Mass169.16
IUPAC NameN'-methylazocane-1-carboximidamide
SMILESCN=C(N)N1CCCCCCC1
InChIInChI=1S/C9H19N3/c1-11-9(10)12-7-5-3-2-4-6-8-12/h2-8H2,1H3,(H2,10,11)
InChIKeyLPFXRJYPMGXSFM-UHFFFAOYSA-N
XLogP1.10
TPSA41.60 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity146

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.27
LogP ≤ 51.10
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'-methylazocane-1-carboximidamide?
The IUPAC name of N'-methylazocane-1-carboximidamide (CID 62359325) is N'-methylazocane-1-carboximidamide.
What is the SMILES notation for N'-methylazocane-1-carboximidamide?
The canonical SMILES for N'-methylazocane-1-carboximidamide is CN=C(N)N1CCCCCCC1.
What is the InChIKey of N'-methylazocane-1-carboximidamide?
The InChIKey is LPFXRJYPMGXSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3/c1-11-9(10)12-7-5-3-2-4-6-8-12/h2-8H2,1H3,(H2,10,11).
What are the key properties of N'-methylazocane-1-carboximidamide?
N'-methylazocane-1-carboximidamide has a molecular weight of 169.27 g/mol, XLogP of 1.10, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-methylazocane-1-carboximidamide is sourced from PubChem (CID 62359325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).