2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide

C14H23IN4 — CID 110912442

IUPAC2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide
SMILESCCN1CCCC1C/N=C(\N)Nc1ccccc1.I
InChIInChI=1S/C14H22N4.HI/c1-2-18-10-6-9-13(18)11-16-14(15)17-12-7-4-3-5-8-12;/h3-5,7-8,13H,2,6,9-11H2,1H3,(H3,15,16,17);1H
InChIKeyDXACKJXRICXGEG-UHFFFAOYSA-N
MW374.27 g/mol
LogP2.52
Rot. Bonds4

About 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide

2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide (PubChem CID 110912442) has the molecular formula C14H23IN4 and a molecular weight of 374.27 g/mol. Its IUPAC name is 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide
PubChem CID110912442
Molecular FormulaC14H23IN4
Molecular Weight374.27 g/mol
Exact Mass374.10
IUPAC Name2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide
SMILESCCN1CCCC1C/N=C(\N)Nc1ccccc1.I
InChIInChI=1S/C14H22N4.HI/c1-2-18-10-6-9-13(18)11-16-14(15)17-12-7-4-3-5-8-12;/h3-5,7-8,13H,2,6,9-11H2,1H3,(H3,15,16,17);1H
InChIKeyDXACKJXRICXGEG-UHFFFAOYSA-N
XLogP2.52
TPSA53.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.27
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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'}

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Related Compounds

1-(4-ethylphenyl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine
CID 111803478
2-[[1-(cyclohexylmethyl)pyrrolidin-2-yl]methyl]-1-phenylguanidine
CID 111111458
1-(2,6-diethylphenyl)-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111026543
2-[(1-ethylpiperidin-2-yl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111803513
1-(3,5-dimethylphenyl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine
CID 111803508
2-[(1-ethylpiperidin-2-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111803487
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-phenylcyclopropyl)guanidine
CID 111046131
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[(1-ethylpiperidin-2-yl)methyl]guanidine;hydroiodide
CID 111803497
2-[(1-benzylpiperidin-2-yl)methyl]-1-(4-methoxyphenyl)guanidine;hydroiodide
CID 111077996
1-[2-(4-ethylphenyl)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111802716
1-[2-(benzenesulfonamido)ethyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111043928
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-(2-pyridin-2-ylethyl)guanidine;hydroiodide
CID 111024722

Frequently Asked Questions

What is the IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide?
The IUPAC name of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide (CID 110912442) is 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide.
What is the SMILES notation for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide?
The canonical SMILES for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide is CCN1CCCC1C/N=C(\N)Nc1ccccc1.I.
What is the InChIKey of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide?
The InChIKey is DXACKJXRICXGEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4.HI/c1-2-18-10-6-9-13(18)11-16-14(15)17-12-7-4-3-5-8-12;/h3-5,7-8,13H,2,6,9-11H2,1H3,(H3,15,16,17);1H.
What are the key properties of 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide?
2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide has a molecular weight of 374.27 g/mol, XLogP of 2.52, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-ethylpyrrolidin-2-yl)methyl]-1-phenylguanidine;hydroiodide is sourced from PubChem (CID 110912442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).