1-cyclopropyl-2-(3-ethoxy-4-methylpentyl)guanidine;hydroiodide

C12H26IN3O — CID 111542699

IUPAC1-cyclopropyl-2-(3-ethoxy-4-methylpentyl)guanidine;hydroiodide
SMILESCCOC(CC/N=C(\N)NC1CC1)C(C)C.I
InChIInChI=1S/C12H25N3O.HI/c1-4-16-11(9(2)3)7-8-14-12(13)15-10-5-6-10;/h9-11H,4-8H2,1-3H3,(H3,13,14,15);1H
InChIKeyNZNREQOFGHRJDQ-UHFFFAOYSA-N
MW355.26 g/mol
LogP2.12
Rot. Bonds7

About 1-cyclopropyl-2-(3-ethoxy-4-methylpentyl)guanidine;hydroiodide

1-cyclopropyl-2-(3-ethoxy-4-methylpentyl)guanidine;hydroiodide (PubChem CID 111542699) has the molecular formula C12H26IN3O and a molecular weight of 355.26 g/mol. Its IUPAC name is 1-cyclopropyl-2-(3-ethoxy-4-methylpentyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopropyl-2-(3-ethoxy-4-methylpentyl)guanidine;hydroiodide
PubChem CID111542699
Molecular FormulaC12H26IN3O
Molecular Weight355.26 g/mol
Exact Mass355.11
IUPAC Name1-cyclopropyl-2-(3-ethoxy-4-methylpentyl)guanidine;hydroiodide
SMILESCCOC(CC/N=C(\N)NC1CC1)C(C)C.I
InChIInChI=1S/C12H25N3O.HI/c1-4-16-11(9(2)3)7-8-14-12(13)15-10-5-6-10;/h9-11H,4-8H2,1-3H3,(H3,13,14,15);1H
InChIKeyNZNREQOFGHRJDQ-UHFFFAOYSA-N
XLogP2.12
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.26
LogP ≤ 52.12
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-cyclopropyl-2-(3-methylbutyl)guanidine
CID 62362173
1-(3,4-dihydro-2H-chromen-4-yl)-2-(3-ethoxy-4-methylpentyl)guanidine
CID 111823053
2-(3-ethoxy-4-methylpentyl)-1-(2-methoxyethyl)guanidine
CID 111542686
1-cyclopropyl-2-[4-(dimethylamino)-2-ethoxybutyl]guanidine;hydroiodide
CID 111975052
1-cyclohexyl-2-(3-hydroxybutyl)guanidine
CID 64911703
2-(3-ethoxy-4-methylpentyl)-1-(4-propan-2-yloxyphenyl)guanidine;hydroiodide
CID 111823080
N'-(3-ethoxy-4-methylpentyl)thiomorpholine-4-carboximidamide;hydroiodide
CID 111823098
2-(cyclobutylmethyl)-1-(3-ethoxy-4-methylpentyl)guanidine
CID 111823123
1-(1-benzylpiperidin-4-yl)-2-(3-ethoxy-4-methylpentyl)-3-ethylguanidine;hydroiodide
CID 111548808
1-[2-(3,4-dimethoxyphenyl)ethyl]-2-(3-ethoxy-4-methylpentyl)guanidine;hydroiodide
CID 111823074
2-[6-[[amino-(cyclopropylamino)methylidene]amino]hexyl]-1-cyclopropylguanidine
CID 110062172
1-cyclohexyl-3-(3-ethoxy-4-methylpentyl)-2-methylguanidine;hydroiodide
CID 111546596

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-(3-ethoxy-4-methylpentyl)guanidine;hydroiodide?
The IUPAC name of 1-cyclopropyl-2-(3-ethoxy-4-methylpentyl)guanidine;hydroiodide (CID 111542699) is 1-cyclopropyl-2-(3-ethoxy-4-methylpentyl)guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopropyl-2-(3-ethoxy-4-methylpentyl)guanidine;hydroiodide?
The canonical SMILES for 1-cyclopropyl-2-(3-ethoxy-4-methylpentyl)guanidine;hydroiodide is CCOC(CC/N=C(\N)NC1CC1)C(C)C.I.
What is the InChIKey of 1-cyclopropyl-2-(3-ethoxy-4-methylpentyl)guanidine;hydroiodide?
The InChIKey is NZNREQOFGHRJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.HI/c1-4-16-11(9(2)3)7-8-14-12(13)15-10-5-6-10;/h9-11H,4-8H2,1-3H3,(H3,13,14,15);1H.
What are the key properties of 1-cyclopropyl-2-(3-ethoxy-4-methylpentyl)guanidine;hydroiodide?
1-cyclopropyl-2-(3-ethoxy-4-methylpentyl)guanidine;hydroiodide has a molecular weight of 355.26 g/mol, XLogP of 2.12, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-(3-ethoxy-4-methylpentyl)guanidine;hydroiodide is sourced from PubChem (CID 111542699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).