2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide

C18H35IN4O — CID 111499960

IUPAC2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C1CC1)C1CC1)NCC(C)N1CCOCC1.I
InChIInChI=1S/C18H34N4O.HI/c1-3-19-18(20-12-14(2)22-8-10-23-11-9-22)21-13-17(15-4-5-15)16-6-7-16;/h14-17H,3-13H2,1-2H3,(H2,19,20,21);1H
InChIKeySTPZVTHYQKYWAU-UHFFFAOYSA-N
MW450.41 g/mol
LogP2.32
Rot. Bonds8

About 2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide

2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide (PubChem CID 111499960) has the molecular formula C18H35IN4O and a molecular weight of 450.41 g/mol. Its IUPAC name is 2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
PubChem CID111499960
Molecular FormulaC18H35IN4O
Molecular Weight450.41 g/mol
Exact Mass450.19
IUPAC Name2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CC(C1CC1)C1CC1)NCC(C)N1CCOCC1.I
InChIInChI=1S/C18H34N4O.HI/c1-3-19-18(20-12-14(2)22-8-10-23-11-9-22)21-13-17(15-4-5-15)16-6-7-16;/h14-17H,3-13H2,1-2H3,(H2,19,20,21);1H
InChIKeySTPZVTHYQKYWAU-UHFFFAOYSA-N
XLogP2.32
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.41
LogP ≤ 52.32
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

1-ethyl-2-(2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine
CID 111021449
1-ethyl-2-(2-ethylbutyl)-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111778316
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 111022063
1,3-diethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110915060
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-3-ethyl-2-(3-methyl-2-morpholin-4-ylbutyl)guanidine;hydroiodide
CID 111930809
1-ethyl-2-(2-methoxy-2-methylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111607630
1-cyclopropyl-3-ethyl-2-(2-morpholin-4-ylpropyl)guanidine
CID 110987978
1-ethyl-2-(2-methyl-3-pyrazol-1-ylpropyl)-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111022014
1-ethyl-2-[(1-methylcyclopentyl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine
CID 111760391
1-ethyl-3-(2-methoxy-3,3-dimethylbutyl)-2-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111710774
N-tert-butyl-2-[[ethylamino-(2-morpholin-4-ylpropylamino)methylidene]amino]acetamide;hydroiodide
CID 111021502
1-ethyl-2-[(4-methylsulfanyloxan-4-yl)methyl]-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 111510310

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide?
The IUPAC name of 2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide (CID 111499960) is 2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide.
What is the SMILES notation for 2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide?
The canonical SMILES for 2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide is CCN/C(=N\CC(C1CC1)C1CC1)NCC(C)N1CCOCC1.I.
What is the InChIKey of 2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide?
The InChIKey is STPZVTHYQKYWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4O.HI/c1-3-19-18(20-12-14(2)22-8-10-23-11-9-22)21-13-17(15-4-5-15)16-6-7-16;/h14-17H,3-13H2,1-2H3,(H2,19,20,21);1H.
What are the key properties of 2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide?
2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide has a molecular weight of 450.41 g/mol, XLogP of 2.32, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dicyclopropylethyl)-1-ethyl-3-(2-morpholin-4-ylpropyl)guanidine;hydroiodide is sourced from PubChem (CID 111499960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).