1-cyclopropyl-3-ethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;hydroiodide

C19H31IN4O — CID 111759488

IUPAC1-cyclopropyl-3-ethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccnc(OC2CCC(C)CC2)c1)NC1CC1.I
InChIInChI=1S/C19H30N4O.HI/c1-3-20-19(23-16-6-7-16)22-13-15-10-11-21-18(12-15)24-17-8-4-14(2)5-9-17;/h10-12,14,16-17H,3-9,13H2,1-2H3,(H2,20,22,23);1H
InChIKeyREEPPGTULHYECI-UHFFFAOYSA-N
MW458.39 g/mol
LogP3.87
Rot. Bonds6

About 1-cyclopropyl-3-ethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;hydroiodide

1-cyclopropyl-3-ethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;hydroiodide (PubChem CID 111759488) has the molecular formula C19H31IN4O and a molecular weight of 458.39 g/mol. Its IUPAC name is 1-cyclopropyl-3-ethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-3-ethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;hydroiodide
PubChem CID111759488
Molecular FormulaC19H31IN4O
Molecular Weight458.39 g/mol
Exact Mass458.15
IUPAC Name1-cyclopropyl-3-ethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ccnc(OC2CCC(C)CC2)c1)NC1CC1.I
InChIInChI=1S/C19H30N4O.HI/c1-3-20-19(23-16-6-7-16)22-13-15-10-11-21-18(12-15)24-17-8-4-14(2)5-9-17;/h10-12,14,16-17H,3-9,13H2,1-2H3,(H2,20,22,23);1H
InChIKeyREEPPGTULHYECI-UHFFFAOYSA-N
XLogP3.87
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.39
LogP ≤ 53.87
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'}

Analyze 1-cyclopropyl-3-ethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;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

1,3-diethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine
CID 111179278
1-cyclopentyl-2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-3-ethylguanidine;hydroiodide
CID 110989668
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine
CID 109431449
2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111896448
1-ethyl-3-(4-methylcyclohexyl)-2-[(2-piperidin-1-yl-4-pyridinyl)methyl]guanidine
CID 111256415
2-[(2-cyclohexyloxy-4-pyridinyl)methyl]-1-(2-ethoxyethyl)-3-ethylguanidine
CID 111896449
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-ethyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111345484
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-ethyl-3-prop-2-enylguanidine
CID 110979675
1-ethyl-2-[[3-(methoxymethyl)phenyl]methyl]-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 111256234
2-[(6-cyclopentyloxy-3-pyridinyl)methyl]-1-cyclopropyl-3-ethylguanidine
CID 110987722
2-[(2-cyclopentyloxy-4-pyridinyl)methyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111237629
tert-butyl N-[2-[[N'-[(2-cyclopentyloxy-4-pyridinyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111885192

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-ethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-3-ethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;hydroiodide (CID 111759488) is 1-cyclopropyl-3-ethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-3-ethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-3-ethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;hydroiodide is CCN/C(=N\Cc1ccnc(OC2CCC(C)CC2)c1)NC1CC1.I.
What is the InChIKey of 1-cyclopropyl-3-ethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;hydroiodide?
The InChIKey is REEPPGTULHYECI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.HI/c1-3-20-19(23-16-6-7-16)22-13-15-10-11-21-18(12-15)24-17-8-4-14(2)5-9-17;/h10-12,14,16-17H,3-9,13H2,1-2H3,(H2,20,22,23);1H.
What are the key properties of 1-cyclopropyl-3-ethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;hydroiodide?
1-cyclopropyl-3-ethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;hydroiodide has a molecular weight of 458.39 g/mol, XLogP of 3.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-ethyl-2-[[2-(4-methylcyclohexyl)oxy-4-pyridinyl]methyl]guanidine;hydroiodide is sourced from PubChem (CID 111759488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).