N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide

C13H29IN4 — CID 111025415

IUPACN'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN(CC)CCC/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C13H28N4.HI/c1-3-16(4-2)10-8-9-15-13(14)17-11-6-5-7-12-17;/h3-12H2,1-2H3,(H2,14,15);1H
InChIKeyCGNPIRADALQQLI-UHFFFAOYSA-N
MW368.31 g/mol
LogP2.14
Rot. Bonds6

About N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide

N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide (PubChem CID 111025415) has the molecular formula C13H29IN4 and a molecular weight of 368.31 g/mol. Its IUPAC name is N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide
PubChem CID111025415
Molecular FormulaC13H29IN4
Molecular Weight368.31 g/mol
Exact Mass368.14
IUPAC NameN'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide
SMILESCCN(CC)CCC/N=C(\N)N1CCCCC1.I
InChIInChI=1S/C13H28N4.HI/c1-3-16(4-2)10-8-9-15-13(14)17-11-6-5-7-12-17;/h3-12H2,1-2H3,(H2,14,15);1H
InChIKeyCGNPIRADALQQLI-UHFFFAOYSA-N
XLogP2.14
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.31
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

N'-[3-(dimethylamino)propyl]piperidine-1-carboximidamide
CID 111023941
N'-[6-[[amino(piperidin-1-yl)methylidene]amino]hexyl]piperidine-1-carboximidamide;hydroiodide
CID 110062182
N'-[4-(diethylamino)butyl]morpholine-4-carboximidamide
CID 111059955
N'-[4-(diethylamino)butyl]-3-methylpiperidine-1-carboximidamide
CID 111060005
N'-[6-[[amino(azepan-1-yl)methylidene]amino]hexyl]azepane-1-carboximidamide
CID 110062207
N'-[3-[ethylsulfonyl(methyl)amino]propyl]piperidine-1-carboximidamide
CID 111066435
N'-propylazocane-1-carboximidamide
CID 62361040
N'-[2-(diethylamino)ethyl]morpholine-4-carboximidamide;hydroiodide
CID 111022667
N'-[4-[methyl(propan-2-yl)amino]butyl]azepane-1-carboximidamide;hydroiodide
CID 86779285
N'-[3-(dipropylamino)propyl]-4-methylpiperidine-1-carboximidamide;hydroiodide
CID 110935040
N'-(3-butoxypropyl)piperidine-1-carboximidamide;hydroiodide
CID 111025862
N'-(3-pyrrolidin-1-ylpropyl)piperidine-1-carboximidamide;hydroiodide
CID 111034812

Frequently Asked Questions

What is the IUPAC name of N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide (CID 111025415) is N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide is CCN(CC)CCC/N=C(\N)N1CCCCC1.I.
What is the InChIKey of N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide?
The InChIKey is CGNPIRADALQQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N4.HI/c1-3-16(4-2)10-8-9-15-13(14)17-11-6-5-7-12-17;/h3-12H2,1-2H3,(H2,14,15);1H.
What are the key properties of N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide?
N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide has a molecular weight of 368.31 g/mol, XLogP of 2.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-(diethylamino)propyl]piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111025415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).