1-(cyclopropylmethyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylguanidine;hydroiodide

C17H29IN4 — CID 111869669

IUPAC1-(cyclopropylmethyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylguanidine;hydroiodide
SMILESCCN(CCN/C(=N/C)NCC1CC1)c1ccccc1C.I
InChIInChI=1S/C17H28N4.HI/c1-4-21(16-8-6-5-7-14(16)2)12-11-19-17(18-3)20-13-15-9-10-15;/h5-8,15H,4,9-13H2,1-3H3,(H2,18,19,20);1H
InChIKeyKTMIXSCPXKJXNY-UHFFFAOYSA-N
MW416.35 g/mol
LogP3.01
Rot. Bonds7

About 1-(cyclopropylmethyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylguanidine;hydroiodide

1-(cyclopropylmethyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylguanidine;hydroiodide (PubChem CID 111869669) has the molecular formula C17H29IN4 and a molecular weight of 416.35 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylguanidine;hydroiodide
PubChem CID111869669
Molecular FormulaC17H29IN4
Molecular Weight416.35 g/mol
Exact Mass416.14
IUPAC Name1-(cyclopropylmethyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylguanidine;hydroiodide
SMILESCCN(CCN/C(=N/C)NCC1CC1)c1ccccc1C.I
InChIInChI=1S/C17H28N4.HI/c1-4-21(16-8-6-5-7-14(16)2)12-11-19-17(18-3)20-13-15-9-10-15;/h5-8,15H,4,9-13H2,1-3H3,(H2,18,19,20);1H
InChIKeyKTMIXSCPXKJXNY-UHFFFAOYSA-N
XLogP3.01
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
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-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(2-methylcyclopropyl)guanidine;hydroiodide
CID 111962902
N-tert-butyl-2-[[N-[2-(N-ethyl-2-methylanilino)ethyl]-N'-methylcarbamimidoyl]amino]acetamide;hydroiodide
CID 111384594
1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111017989
1-[2-(N-ethyl-2-methylanilino)ethyl]-2-methyl-3-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111933988
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-(cyclopropylmethyl)-2-methylguanidine
CID 111869610
1-[(1,1-dioxothiolan-3-yl)methyl]-3-[3-(N-ethylanilino)propyl]-2-methylguanidine;hydroiodide
CID 111390198
1-[3-[benzyl(methyl)amino]propyl]-3-(cyclopropylmethyl)-2-methylguanidine;hydroiodide
CID 111870458
1-(cyclopropylmethyl)-2-methyl-3-[4-(N-methylanilino)butyl]guanidine
CID 111867904
1-[3-(N-ethylanilino)propyl]-2-methyl-3-[(1-methylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111768034
1-(cyclopropylmethyl)-3-[3-(dipropylamino)propyl]-2-methylguanidine;hydroiodide
CID 111869545
1-ethyl-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111929461
N'-ethyl-N'-(2-methylphenyl)-N-propylethane-1,2-diamine
CID 61386867

Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(cyclopropylmethyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylguanidine;hydroiodide (CID 111869669) is 1-(cyclopropylmethyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylguanidine;hydroiodide is CCN(CCN/C(=N/C)NCC1CC1)c1ccccc1C.I.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylguanidine;hydroiodide?
The InChIKey is KTMIXSCPXKJXNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4.HI/c1-4-21(16-8-6-5-7-14(16)2)12-11-19-17(18-3)20-13-15-9-10-15;/h5-8,15H,4,9-13H2,1-3H3,(H2,18,19,20);1H.
What are the key properties of 1-(cyclopropylmethyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylguanidine;hydroiodide?
1-(cyclopropylmethyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylguanidine;hydroiodide has a molecular weight of 416.35 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[2-(N-ethyl-2-methylanilino)ethyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111869669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).