1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide

C17H29IN4 — CID 111962902

IUPAC1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
SMILESCCN(CCN/C(=N\C)NC1CC1C)c1ccccc1C.I
InChIInChI=1S/C17H28N4.HI/c1-5-21(16-9-7-6-8-13(16)2)11-10-19-17(18-4)20-15-12-14(15)3;/h6-9,14-15H,5,10-12H2,1-4H3,(H2,18,19,20);1H
InChIKeyXRCZGVXZNWRPTD-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.01
Rot. Bonds6

About 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide

1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide (PubChem CID 111962902) has the molecular formula C17H29IN4 and a molecular weight of 416.35 g/mol. Its IUPAC name is 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
PubChem CID111962902
Molecular FormulaC17H29IN4
Molecular Weight416.35 g/mol
Exact Mass416.14
IUPAC Name1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
SMILESCCN(CCN/C(=N\C)NC1CC1C)c1ccccc1C.I
InChIInChI=1S/C17H28N4.HI/c1-5-21(16-9-7-6-8-13(16)2)11-10-19-17(18-4)20-15-12-14(15)3;/h6-9,14-15H,5,10-12H2,1-4H3,(H2,18,19,20);1H
InChIKeyXRCZGVXZNWRPTD-UHFFFAOYSA-N
XLogP3.01
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.35
LogP ≤ 53.01
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-(cyclopropylmethyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylguanidine;hydroiodide
CID 111869669
1-[2-(N-ethyl-3-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111330776
1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111017989
2-methyl-1-[2-(N-methylanilino)ethyl]-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111962486
N-tert-butyl-2-[[N-[2-(N-ethyl-2-methylanilino)ethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111384594
1-(3-anilinopropyl)-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111963344
1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111933988
2-methyl-1-(2-methylcyclopropyl)-3-(2-phenylsulfanylethyl)guanidine;hydroiodide
CID 111373074
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111960956
1-[3-[benzyl(methyl)amino]butyl]-2-methyl-3-(2-methylcyclopropyl)guanidine
CID 111719476
2-methyl-1-(2-methylcyclopropyl)-3-[2-(quinolin-2-ylamino)ethyl]guanidine;hydroiodide
CID 111961988
2-methyl-1-(2-methylcyclopropyl)-3-[2-[methyl(propan-2-yl)amino]ethyl]guanidine
CID 111961691

Frequently Asked Questions

What is the IUPAC name of 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide (CID 111962902) is 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide is CCN(CCN/C(=N\C)NC1CC1C)c1ccccc1C.I.
What is the InChIKey of 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
The InChIKey is XRCZGVXZNWRPTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4.HI/c1-5-21(16-9-7-6-8-13(16)2)11-10-19-17(18-4)20-15-12-14(15)3;/h6-9,14-15H,5,10-12H2,1-4H3,(H2,18,19,20);1H.
What are the key properties of 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide?
1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide has a molecular weight of 416.35 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 111962902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).