1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide

C11H26IN3O — CID 110944617

IUPAC1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCCOC)NC(C)CC.I
InChIInChI=1S/C11H25N3O.HI/c1-5-10(3)14-11(12-6-2)13-8-7-9-15-4;/h10H,5-9H2,1-4H3,(H2,12,13,14);1H
InChIKeyQYLHWFPDTMEBEH-UHFFFAOYSA-N
MW343.25 g/mol
LogP1.99
Rot. Bonds7

About 1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide

1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide (PubChem CID 110944617) has the molecular formula C11H26IN3O and a molecular weight of 343.25 g/mol. Its IUPAC name is 1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide
PubChem CID110944617
Molecular FormulaC11H26IN3O
Molecular Weight343.25 g/mol
Exact Mass343.11
IUPAC Name1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide
SMILESCCN/C(=N\CCCOC)NC(C)CC.I
InChIInChI=1S/C11H25N3O.HI/c1-5-10(3)14-11(12-6-2)13-8-7-9-15-4;/h10H,5-9H2,1-4H3,(H2,12,13,14);1H
InChIKeyQYLHWFPDTMEBEH-UHFFFAOYSA-N
XLogP1.99
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.25
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-butan-2-yl-3-ethyl-2-[3-(2-methylpropoxy)propyl]guanidine
CID 110945780
1-ethyl-2-(5-methoxypentyl)-3-(5-methylhexan-2-yl)guanidine
CID 111204310
1-ethyl-3-(1-methoxypropan-2-yl)-2-pentylguanidine;hydroiodide
CID 111235092
1-ethyl-3-heptan-2-yl-2-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111195091
1-butan-2-yl-2-(3-cyclopentyloxypropyl)-3-ethylguanidine;hydroiodide
CID 110944371
2-(3-butoxypropyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine
CID 111235657
1-butan-2-yl-3-ethyl-2-[3-(4-fluorophenoxy)propyl]guanidine;hydroiodide
CID 110943993
1-ethyl-3-(1-methoxypropan-2-yl)-2-[3-(2,2,2-trifluoroethoxy)propyl]guanidine;hydroiodide
CID 111235880
N-butan-2-yl-3-[[N-ethyl-N'-[3-(2-methoxyethoxy)propyl]carbamimidoyl]amino]propanamide
CID 111404237
1-ethyl-3-heptan-2-yl-2-[2-(2-methoxyethoxy)ethyl]guanidine;hydroiodide
CID 111195085
1-ethyl-2-(3-methoxypropyl)-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 110975570
2-(2-butoxyethyl)-1-ethyl-3-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111238012

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide?
The IUPAC name of 1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide (CID 110944617) is 1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide?
The canonical SMILES for 1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide is CCN/C(=N\CCCOC)NC(C)CC.I.
What is the InChIKey of 1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide?
The InChIKey is QYLHWFPDTMEBEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25N3O.HI/c1-5-10(3)14-11(12-6-2)13-8-7-9-15-4;/h10H,5-9H2,1-4H3,(H2,12,13,14);1H.
What are the key properties of 1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide?
1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide has a molecular weight of 343.25 g/mol, XLogP of 1.99, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-ethyl-2-(3-methoxypropyl)guanidine;hydroiodide is sourced from PubChem (CID 110944617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).