2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide

C15H35IN4 — CID 111126713

IUPAC2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide
SMILESCCN/C(=N\CC(C(CC)CC)N(C)C)NC(C)C.I
InChIInChI=1S/C15H34N4.HI/c1-8-13(9-2)14(19(6)7)11-17-15(16-10-3)18-12(4)5;/h12-14H,8-11H2,1-7H3,(H2,16,17,18);1H
InChIKeyXAJMJXKISUVHJW-UHFFFAOYSA-N
MW398.38 g/mol
LogP2.93
Rot. Bonds8

About 2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide

2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide (PubChem CID 111126713) has the molecular formula C15H35IN4 and a molecular weight of 398.38 g/mol. Its IUPAC name is 2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide
PubChem CID111126713
Molecular FormulaC15H35IN4
Molecular Weight398.38 g/mol
Exact Mass398.19
IUPAC Name2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide
SMILESCCN/C(=N\CC(C(CC)CC)N(C)C)NC(C)C.I
InChIInChI=1S/C15H34N4.HI/c1-8-13(9-2)14(19(6)7)11-17-15(16-10-3)18-12(4)5;/h12-14H,8-11H2,1-7H3,(H2,16,17,18);1H
InChIKeyXAJMJXKISUVHJW-UHFFFAOYSA-N
XLogP2.93
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 52.93
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

2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-ethoxyethyl)-3-ethylguanidine;hydroiodide
CID 111897090
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125895
1-ethyl-2-[2-hydroxy-3-(2-methylpropoxy)propyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125934
2-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111125746
2-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111123891
2-[2-(dimethylamino)-2-thiophen-2-ylethyl]-1-ethyl-3-propan-2-ylguanidine
CID 111127090
2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-[2-(3-ethyl-1,2,4-triazol-4-yl)ethyl]guanidine;hydroiodide
CID 111699358
1-ethyl-2-[2-(2-methylpropoxy)ethyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125004
2-[2-cyclopropyl-2-(dimethylamino)ethyl]-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111234742
2-[2-(dimethylamino)-3-ethylpentyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 136924659
1-ethyl-2-[2-[ethyl(propan-2-yl)amino]ethyl]-3-propan-2-ylguanidine;hydroiodide
CID 111125096
2-[2-cyclohexyl-2-(dimethylamino)ethyl]-1-(cyclopropylmethyl)-3-ethylguanidine;hydroiodide
CID 111868071

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide (CID 111126713) is 2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide is CCN/C(=N\CC(C(CC)CC)N(C)C)NC(C)C.I.
What is the InChIKey of 2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide?
The InChIKey is XAJMJXKISUVHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H34N4.HI/c1-8-13(9-2)14(19(6)7)11-17-15(16-10-3)18-12(4)5;/h12-14H,8-11H2,1-7H3,(H2,16,17,18);1H.
What are the key properties of 2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide?
2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide has a molecular weight of 398.38 g/mol, XLogP of 2.93, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylamino)-3-ethylpentyl]-1-ethyl-3-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111126713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).