1-ethyl-3-(3-methylbutyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide

C15H27IN4 — CID 111548188

IUPAC1-ethyl-3-(3-methylbutyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ncccc1C)NCCC(C)C.I
InChIInChI=1S/C15H26N4.HI/c1-5-16-15(18-10-8-12(2)3)19-11-14-13(4)7-6-9-17-14;/h6-7,9,12H,5,8,10-11H2,1-4H3,(H2,16,18,19);1H
InChIKeyIAPGJTINSIDOMB-UHFFFAOYSA-N
MW390.31 g/mol
LogP3.11
Rot. Bonds6

About 1-ethyl-3-(3-methylbutyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide

1-ethyl-3-(3-methylbutyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide (PubChem CID 111548188) has the molecular formula C15H27IN4 and a molecular weight of 390.31 g/mol. Its IUPAC name is 1-ethyl-3-(3-methylbutyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-ethyl-3-(3-methylbutyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
PubChem CID111548188
Molecular FormulaC15H27IN4
Molecular Weight390.31 g/mol
Exact Mass390.13
IUPAC Name1-ethyl-3-(3-methylbutyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
SMILESCCN/C(=N\Cc1ncccc1C)NCCC(C)C.I
InChIInChI=1S/C15H26N4.HI/c1-5-16-15(18-10-8-12(2)3)19-11-14-13(4)7-6-9-17-14;/h6-7,9,12H,5,8,10-11H2,1-4H3,(H2,16,18,19);1H
InChIKeyIAPGJTINSIDOMB-UHFFFAOYSA-N
XLogP3.11
TPSA49.31 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.31
LogP ≤ 53.11
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-ethyl-3-hexyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111787988
1-amino-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 116515248
1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-(2-phenylpropyl)guanidine
CID 111788533
1-cyclopentyl-3-ethyl-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide
CID 111787756
2-[(3-methyl-2-pyridinyl)methyl]-1-prop-2-enyl-3-propylguanidine;hydroiodide
CID 71925298
1-ethyl-3-(3-hydroxy-2-phenylpropyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine
CID 109410599
1-ethyl-2-[(3-methyl-2-pyridinyl)methyl]-3-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)guanidine
CID 111787827
1-ethyl-3-(3-methylbutyl)-2-[(5-methylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 110979472
1-ethyl-3-(3-methylbutyl)-2-[(2-methyl-1,3-thiazol-5-yl)methyl]guanidine
CID 110977063
1-ethyl-2-[(4-fluorophenyl)methyl]-3-(3-methylbutyl)guanidine;hydroiodide
CID 110978244
1-ethyl-3-(3-methylbutyl)-2-[4-(pyridin-2-ylamino)butyl]guanidine;hydroiodide
CID 110978732
1-ethyl-2-[(2-fluorophenyl)methyl]-3-(3-methylbutyl)guanidine
CID 110978267

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-(3-methylbutyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide?
The IUPAC name of 1-ethyl-3-(3-methylbutyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide (CID 111548188) is 1-ethyl-3-(3-methylbutyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide.
What is the SMILES notation for 1-ethyl-3-(3-methylbutyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide?
The canonical SMILES for 1-ethyl-3-(3-methylbutyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide is CCN/C(=N\Cc1ncccc1C)NCCC(C)C.I.
What is the InChIKey of 1-ethyl-3-(3-methylbutyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide?
The InChIKey is IAPGJTINSIDOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4.HI/c1-5-16-15(18-10-8-12(2)3)19-11-14-13(4)7-6-9-17-14;/h6-7,9,12H,5,8,10-11H2,1-4H3,(H2,16,18,19);1H.
What are the key properties of 1-ethyl-3-(3-methylbutyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide?
1-ethyl-3-(3-methylbutyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide has a molecular weight of 390.31 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-(3-methylbutyl)-2-[(3-methyl-2-pyridinyl)methyl]guanidine;hydroiodide is sourced from PubChem (CID 111548188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).