N'-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboximidamide;hydroiodide

C13H24IN3 — CID 75493992

IUPACN'-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1CC=CCC1)N1CCCCC1
InChIInChI=1S/C13H23N3.HI/c14-13(16-9-5-2-6-10-16)15-11-12-7-3-1-4-8-12;/h1,3,12H,2,4-11H2,(H2,14,15);1H
InChIKeyUMSGHBLYVHBDPE-UHFFFAOYSA-N
MW349.26 g/mol
LogP2.76
Rot. Bonds2

About N'-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboximidamide;hydroiodide

N'-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboximidamide;hydroiodide (PubChem CID 75493992) has the molecular formula C13H24IN3 and a molecular weight of 349.26 g/mol. Its IUPAC name is N'-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN'-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboximidamide;hydroiodide
PubChem CID75493992
Molecular FormulaC13H24IN3
Molecular Weight349.26 g/mol
Exact Mass349.10
IUPAC NameN'-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboximidamide;hydroiodide
SMILESI.N/C(=N\CC1CC=CCC1)N1CCCCC1
InChIInChI=1S/C13H23N3.HI/c14-13(16-9-5-2-6-10-16)15-11-12-7-3-1-4-8-12;/h1,3,12H,2,4-11H2,(H2,14,15);1H
InChIKeyUMSGHBLYVHBDPE-UHFFFAOYSA-N
XLogP2.76
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.26
LogP ≤ 52.76
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboximidamide;hydroiodide?
The IUPAC name of N'-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboximidamide;hydroiodide (CID 75493992) is N'-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N'-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N'-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboximidamide;hydroiodide is I.N/C(=N\CC1CC=CCC1)N1CCCCC1.
What is the InChIKey of N'-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboximidamide;hydroiodide?
The InChIKey is UMSGHBLYVHBDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3.HI/c14-13(16-9-5-2-6-10-16)15-11-12-7-3-1-4-8-12;/h1,3,12H,2,4-11H2,(H2,14,15);1H.
What are the key properties of N'-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboximidamide;hydroiodide?
N'-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboximidamide;hydroiodide has a molecular weight of 349.26 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(cyclohex-3-en-1-ylmethyl)piperidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 75493992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).