N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

C14H26IN3 — CID 110933730

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCCC1=CCCCC1)N1CCCC1.I
InChIInChI=1S/C14H25N3.HI/c1-15-14(17-11-5-6-12-17)16-10-9-13-7-3-2-4-8-13;/h7H,2-6,8-12H2,1H3,(H,15,16);1H
InChIKeyNHJKOVLRKXUUOY-UHFFFAOYSA-N
MW363.29 g/mol
LogP3.17
Rot. Bonds3

About N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide

N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 110933730) has the molecular formula C14H26IN3 and a molecular weight of 363.29 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID110933730
Molecular FormulaC14H26IN3
Molecular Weight363.29 g/mol
Exact Mass363.12
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCCC1=CCCCC1)N1CCCC1.I
InChIInChI=1S/C14H25N3.HI/c1-15-14(17-11-5-6-12-17)16-10-9-13-7-3-2-4-8-13;/h7H,2-6,8-12H2,1H3,(H,15,16);1H
InChIKeyNHJKOVLRKXUUOY-UHFFFAOYSA-N
XLogP3.17
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.29
LogP ≤ 53.17
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-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide (CID 110933730) is N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NCCC1=CCCCC1)N1CCCC1.I.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is NHJKOVLRKXUUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3.HI/c1-15-14(17-11-5-6-12-17)16-10-9-13-7-3-2-4-8-13;/h7H,2-6,8-12H2,1H3,(H,15,16);1H.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide?
N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 363.29 g/mol, XLogP of 3.17, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclohexen-1-yl)ethyl]-N'-methylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 110933730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).