N'-propylazocane-1-carboximidamide

C11H23N3 — CID 62361040

IUPACN'-propylazocane-1-carboximidamide
SMILESCCC/N=C(\N)N1CCCCCCC1
InChIInChI=1S/C11H23N3/c1-2-8-13-11(12)14-9-6-4-3-5-7-10-14/h2-10H2,1H3,(H2,12,13)
InChIKeyFGITVVZAIXFFAS-UHFFFAOYSA-N
MW197.33 g/mol
LogP1.98
Rot. Bonds2

About N'-propylazocane-1-carboximidamide

N'-propylazocane-1-carboximidamide (PubChem CID 62361040) has the molecular formula C11H23N3 and a molecular weight of 197.33 g/mol. Its IUPAC name is N'-propylazocane-1-carboximidamide.

Molecular Properties

Compound NameN'-propylazocane-1-carboximidamide
PubChem CID62361040
Molecular FormulaC11H23N3
Molecular Weight197.33 g/mol
Exact Mass197.19
IUPAC NameN'-propylazocane-1-carboximidamide
SMILESCCC/N=C(\N)N1CCCCCCC1
InChIInChI=1S/C11H23N3/c1-2-8-13-11(12)14-9-6-4-3-5-7-10-14/h2-10H2,1H3,(H2,12,13)
InChIKeyFGITVVZAIXFFAS-UHFFFAOYSA-N
XLogP1.98
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.33
LogP ≤ 51.98
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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Related Compounds

N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 111025862
4-(hydroxymethyl)-N'-propylpiperidine-1-carboximidamide
CID 62367973
N'-[3-(dimethylamino)propyl]piperidine-1-carboximidamide
CID 111023941
N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide
CID 111025415
N'-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-1-carboximidamide
CID 111066435
N'-(3-pyrrolidin-1-ylpropyl)azepane-1-carboximidamide
CID 86779268
N'-[2-(ethylsulfonylamino)ethyl]piperidine-1-carboximidamide
CID 111062631
3-[[amino(piperidin-1-yl)methylidene]amino]-N,N-diethylpropanamide;hydroiodide
CID 111054620
ethyl 4-[[amino(piperidin-1-yl)methylidene]amino]butanoate
CID 111025670
N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111034812

Frequently Asked Questions

What is the IUPAC name of N'-propylazocane-1-carboximidamide?
The IUPAC name of N'-propylazocane-1-carboximidamide (CID 62361040) is N'-propylazocane-1-carboximidamide.
What is the SMILES notation for N'-propylazocane-1-carboximidamide?
The canonical SMILES for N'-propylazocane-1-carboximidamide is CCC/N=C(\N)N1CCCCCCC1.
What is the InChIKey of N'-propylazocane-1-carboximidamide?
The InChIKey is FGITVVZAIXFFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23N3/c1-2-8-13-11(12)14-9-6-4-3-5-7-10-14/h2-10H2,1H3,(H2,12,13).
What are the key properties of N'-propylazocane-1-carboximidamide?
N'-propylazocane-1-carboximidamide has a molecular weight of 197.33 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propylazocane-1-carboximidamide is sourced from PubChem (CID 62361040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).