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

C16H26IN3 — CID 110946243

IUPAC1-butan-2-yl-2-ethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
SMILESCC/N=C(\NC(C)CC)NC1CC1c1ccccc1.I
InChIInChI=1S/C16H25N3.HI/c1-4-12(3)18-16(17-5-2)19-15-11-14(15)13-9-7-6-8-10-13;/h6-10,12,14-15H,4-5,11H2,1-3H3,(H2,17,18,19);1H
InChIKeyHZACNXWAIOWAKX-UHFFFAOYSA-N
MW387.31 g/mol
LogP3.51
Rot. Bonds5

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

1-butan-2-yl-2-ethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide (PubChem CID 110946243) has the molecular formula C16H26IN3 and a molecular weight of 387.31 g/mol. Its IUPAC name is 1-butan-2-yl-2-ethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-butan-2-yl-2-ethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
PubChem CID110946243
Molecular FormulaC16H26IN3
Molecular Weight387.31 g/mol
Exact Mass387.12
IUPAC Name1-butan-2-yl-2-ethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
SMILESCC/N=C(\NC(C)CC)NC1CC1c1ccccc1.I
InChIInChI=1S/C16H25N3.HI/c1-4-12(3)18-16(17-5-2)19-15-11-14(15)13-9-7-6-8-10-13;/h6-10,12,14-15H,4-5,11H2,1-3H3,(H2,17,18,19);1H
InChIKeyHZACNXWAIOWAKX-UHFFFAOYSA-N
XLogP3.51
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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-[5-(diethylamino)pentan-2-yl]-2-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 111000173
1,2-diethyl-3-(2-phenylcyclopropyl)guanidine
CID 47091817
1-tert-butyl-2-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 110967358
1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111772039
2-ethyl-1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111382488
1-ethyl-2-(2-methylpropyl)-3-(2-phenylcyclopropyl)guanidine
CID 111180959
N'-ethyl-N-(2-phenylcyclopropyl)pyrrolidine-1-carboximidamide
CID 110956792
1,2-dimethyl-3-(2-phenylcyclopropyl)guanidine
CID 110918454
2-(2-methylpropyl)-1-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 110912321
2-butyl-1-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 111152146
1-ethyl-2-(3-hydroxy-2-phenylpropyl)-3-(2-phenylcyclopropyl)guanidine
CID 109408416
1-(1-hydroxybutan-2-yl)-3-(2-phenylcyclopropyl)urea
CID 47764323

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-2-ethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide?
The IUPAC name of 1-butan-2-yl-2-ethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide (CID 110946243) is 1-butan-2-yl-2-ethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide.
What is the SMILES notation for 1-butan-2-yl-2-ethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide?
The canonical SMILES for 1-butan-2-yl-2-ethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide is CC/N=C(\NC(C)CC)NC1CC1c1ccccc1.I.
What is the InChIKey of 1-butan-2-yl-2-ethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide?
The InChIKey is HZACNXWAIOWAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3.HI/c1-4-12(3)18-16(17-5-2)19-15-11-14(15)13-9-7-6-8-10-13;/h6-10,12,14-15H,4-5,11H2,1-3H3,(H2,17,18,19);1H.
What are the key properties of 1-butan-2-yl-2-ethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide?
1-butan-2-yl-2-ethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide has a molecular weight of 387.31 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-2-ethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide is sourced from PubChem (CID 110946243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).