2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine;hydroiodide

C22H32IN5O — CID 109403743

IUPAC2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccc1OCC1CC1)NCc1cccc(N(C)C)n1.I
InChIInChI=1S/C22H31N5O.HI/c1-4-23-22(25-15-19-9-7-11-21(26-19)27(2)3)24-14-18-8-5-6-10-20(18)28-16-17-12-13-17;/h5-11,17H,4,12-16H2,1-3H3,(H2,23,24,25);1H
InChIKeyYNYILUZQUMETAP-UHFFFAOYSA-N
MW509.44 g/mol
LogP3.81
Rot. Bonds9

About 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine;hydroiodide

2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine;hydroiodide (PubChem CID 109403743) has the molecular formula C22H32IN5O and a molecular weight of 509.44 g/mol. Its IUPAC name is 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine;hydroiodide
PubChem CID109403743
Molecular FormulaC22H32IN5O
Molecular Weight509.44 g/mol
Exact Mass509.17
IUPAC Name2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccccc1OCC1CC1)NCc1cccc(N(C)C)n1.I
InChIInChI=1S/C22H31N5O.HI/c1-4-23-22(25-15-19-9-7-11-21(26-19)27(2)3)24-14-18-8-5-6-10-20(18)28-16-17-12-13-17;/h5-11,17H,4,12-16H2,1-3H3,(H2,23,24,25);1H
InChIKeyYNYILUZQUMETAP-UHFFFAOYSA-N
XLogP3.81
TPSA61.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.44
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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'}

Analyze 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-methoxyphenyl)methyl]guanidine;hydroiodide
CID 109401646
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-3-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-methylguanidine
CID 109403750
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(2-ethylphenyl)methyl]guanidine
CID 109404111
2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-ethyl-3-[[2-(methoxymethyl)phenyl]methyl]guanidine
CID 111577293
2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-ethyl-3-[(2-hydroxy-3-methoxyphenyl)methyl]guanidine
CID 111986047
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-2-[(2,4-dimethylphenyl)methyl]-3-ethylguanidine;hydroiodide
CID 109407085
1-[[2-(cyclopropylmethoxy)phenyl]methyl]-3-ethyl-2-[(2-methoxy-3-pyridinyl)methyl]guanidine
CID 111576683
1-(cyclopropylmethyl)-2-[(2-ethoxyphenyl)methyl]-3-ethylguanidine
CID 111867474
2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-ethyl-3-(5-methoxypentyl)guanidine;hydroiodide
CID 111576912
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1,3-diethylguanidine
CID 86780962
1-ethyl-3-[(6-methyl-2-pyridinyl)methyl]-2-[(2-prop-2-enoxyphenyl)methyl]guanidine;hydroiodide
CID 111555660
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine
CID 109401433

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine;hydroiodide?
The IUPAC name of 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine;hydroiodide (CID 109403743) is 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine;hydroiodide.
What is the SMILES notation for 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine;hydroiodide?
The canonical SMILES for 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine;hydroiodide is CCN/C(=N\Cc1ccccc1OCC1CC1)NCc1cccc(N(C)C)n1.I.
What is the InChIKey of 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine;hydroiodide?
The InChIKey is YNYILUZQUMETAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N5O.HI/c1-4-23-22(25-15-19-9-7-11-21(26-19)27(2)3)24-14-18-8-5-6-10-20(18)28-16-17-12-13-17;/h5-11,17H,4,12-16H2,1-3H3,(H2,23,24,25);1H.
What are the key properties of 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine;hydroiodide?
2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine;hydroiodide has a molecular weight of 509.44 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(cyclopropylmethoxy)phenyl]methyl]-1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-ethylguanidine;hydroiodide is sourced from PubChem (CID 109403743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).