N-[2-(cyclohexen-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide

C16H30IN3 — CID 111739715

IUPACN-[2-(cyclohexen-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCCC1=CCCCC1)N1CCC(C)(C)C1.I
InChIInChI=1S/C16H29N3.HI/c1-16(2)10-12-19(13-16)15(17-3)18-11-9-14-7-5-4-6-8-14;/h7H,4-6,8-13H2,1-3H3,(H,17,18);1H
InChIKeyLSKQZTLVVXSKPI-UHFFFAOYSA-N
MW391.34 g/mol
LogP3.80
Rot. Bonds3

About N-[2-(cyclohexen-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide

N-[2-(cyclohexen-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide (PubChem CID 111739715) has the molecular formula C16H30IN3 and a molecular weight of 391.34 g/mol. Its IUPAC name is N-[2-(cyclohexen-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide.

Molecular Properties

Compound NameN-[2-(cyclohexen-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
PubChem CID111739715
Molecular FormulaC16H30IN3
Molecular Weight391.34 g/mol
Exact Mass391.15
IUPAC NameN-[2-(cyclohexen-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide
SMILESC/N=C(/NCCC1=CCCCC1)N1CCC(C)(C)C1.I
InChIInChI=1S/C16H29N3.HI/c1-16(2)10-12-19(13-16)15(17-3)18-11-9-14-7-5-4-6-8-14;/h7H,4-6,8-13H2,1-3H3,(H,17,18);1H
InChIKeyLSKQZTLVVXSKPI-UHFFFAOYSA-N
XLogP3.80
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.34
LogP ≤ 53.80
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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Related Compounds

3-[2-(Cyclohexen-1-yl)ethyl]-1,1,2-trimethylguanidine
CID 100611868
1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111208301
1-[2-(Cyclohexen-1-yl)ethyl]-3-ethyl-2-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111208302
1-[2-(Cyclohexen-1-yl)ethyl]-2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine;hydroiodide
CID 111208770
1-[2-(Cyclohexen-1-yl)ethyl]-2-methyl-3-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]guanidine
CID 111208771
N-[2-(cyclopenten-1-yl)ethyl]-N',2,2,3,3-pentamethylazetidine-1-carboximidamide;hydroiodide
CID 109451716
1-[2-(Cyclopenten-1-yl)ethyl]-3-[(1-ethylcyclobutyl)methyl]-2-methylguanidine;hydroiodide
CID 109468901
3-[2-(Cyclohexen-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine;hydroiodide
CID 109498975
3-[2-(Cyclohexen-1-yl)ethyl]-1,2-dimethyl-1-pent-4-enylguanidine
CID 109498976
2-[2-(Cyclopenten-1-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109499247
1-[2-(Cyclohexen-1-yl)ethyl]-2-methyl-3-(4-methyl-1-propan-2-ylpyrrolidin-3-yl)guanidine;hydroiodide
CID 109698712
N-[2-(cyclopenten-1-yl)ethyl]-N'-methyl-6-azaspiro[3.4]octane-6-carboximidamide;hydroiodide
CID 109744124

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide?
The IUPAC name of N-[2-(cyclohexen-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide (CID 111739715) is N-[2-(cyclohexen-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide.
What is the SMILES notation for N-[2-(cyclohexen-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide?
The canonical SMILES for N-[2-(cyclohexen-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide is C/N=C(/NCCC1=CCCCC1)N1CCC(C)(C)C1.I.
What is the InChIKey of N-[2-(cyclohexen-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide?
The InChIKey is LSKQZTLVVXSKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3.HI/c1-16(2)10-12-19(13-16)15(17-3)18-11-9-14-7-5-4-6-8-14;/h7H,4-6,8-13H2,1-3H3,(H,17,18);1H.
What are the key properties of N-[2-(cyclohexen-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide?
N-[2-(cyclohexen-1-yl)ethyl]-N',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide has a molecular weight of 391.34 g/mol, XLogP of 3.80, 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',3,3-trimethylpyrrolidine-1-carboximidamide;hydroiodide is sourced from PubChem (CID 111739715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).