1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide

C19H33IN4O — CID 111881642

IUPAC1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccc1OCC)NCCN(CC)C1CC1.I
InChIInChI=1S/C19H32N4O.HI/c1-4-20-19(21-13-14-23(5-2)17-11-12-17)22-15-16-9-7-8-10-18(16)24-6-3;/h7-10,17H,4-6,11-15H2,1-3H3,(H2,20,21,22);1H
InChIKeyVCCQGIFEEOABAB-UHFFFAOYSA-N
MW460.40 g/mol
LogP3.24
Rot. Bonds10

About 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide

1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide (PubChem CID 111881642) has the molecular formula C19H33IN4O and a molecular weight of 460.40 g/mol. Its IUPAC name is 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide
PubChem CID111881642
Molecular FormulaC19H33IN4O
Molecular Weight460.40 g/mol
Exact Mass460.17
IUPAC Name1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccc1OCC)NCCN(CC)C1CC1.I
InChIInChI=1S/C19H32N4O.HI/c1-4-20-19(21-13-14-23(5-2)17-11-12-17)22-15-16-9-7-8-10-18(16)24-6-3;/h7-10,17H,4-6,11-15H2,1-3H3,(H2,20,21,22);1H
InChIKeyVCCQGIFEEOABAB-UHFFFAOYSA-N
XLogP3.24
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

2-[(2-chlorophenyl)methyl]-1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethylguanidine;hydroiodide
CID 111175288
1-[2-[cyclopropyl(ethyl)amino]ethyl]-3-ethyl-2-[(2-methylphenyl)methyl]guanidine
CID 111360467
1-(cyclopropylmethyl)-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine
CID 111867474
1-[4-(diethylamino)butyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 111881676
1-[2-[cyclopropyl(propan-2-yl)amino]ethyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 111217242
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-prop-2-enylguanidine;hydroiodide
CID 110983129
2-[(2-ethoxyphenyl)methyl]-1-(3-ethoxypropyl)-3-ethylguanidine
CID 111222241
N'-cyclopropyl-N-[(2-ethoxyphenyl)methyl]-N'-ethylethane-1,2-diamine
CID 103637912
1-(4-ethoxybutyl)-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine
CID 111881411
1-tert-butyl-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine
CID 110967302
1-[2-[cyclopropyl(2-methoxyethyl)amino]ethyl]-3-ethyl-2-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]guanidine;hydroiodide
CID 111851951
2-[(2-ethoxyphenyl)methyl]-1-ethyl-3-[[2-(methoxymethyl)phenyl]methyl]guanidine
CID 111881421

Frequently Asked Questions

What is the IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide?
The IUPAC name of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide (CID 111881642) is 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide?
The canonical SMILES for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide is CCN/C(=N\Cc1ccccc1OCC)NCCN(CC)C1CC1.I.
What is the InChIKey of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide?
The InChIKey is VCCQGIFEEOABAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O.HI/c1-4-20-19(21-13-14-23(5-2)17-11-12-17)22-15-16-9-7-8-10-18(16)24-6-3;/h7-10,17H,4-6,11-15H2,1-3H3,(H2,20,21,22);1H.
What are the key properties of 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide?
1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide has a molecular weight of 460.40 g/mol, XLogP of 3.24, 10 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[cyclopropyl(ethyl)amino]ethyl]-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 111881642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).