1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide

C15H23ClIN3 — CID 111772039

IUPAC1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide
SMILESCC/N=C(\NC(C)C)NC1CC1c1cccc(Cl)c1.I
InChIInChI=1S/C15H22ClN3.HI/c1-4-17-15(18-10(2)3)19-14-9-13(14)11-6-5-7-12(16)8-11;/h5-8,10,13-14H,4,9H2,1-3H3,(H2,17,18,19);1H
InChIKeyOVTMUVYPVDBSSC-UHFFFAOYSA-N
MW407.73 g/mol
LogP3.78
Rot. Bonds4

About 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide

1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide (PubChem CID 111772039) has the molecular formula C15H23ClIN3 and a molecular weight of 407.73 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide
PubChem CID111772039
Molecular FormulaC15H23ClIN3
Molecular Weight407.73 g/mol
Exact Mass407.06
IUPAC Name1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide
SMILESCC/N=C(\NC(C)C)NC1CC1c1cccc(Cl)c1.I
InChIInChI=1S/C15H22ClN3.HI/c1-4-17-15(18-10(2)3)19-14-9-13(14)11-6-5-7-12(16)8-11;/h5-8,10,13-14H,4,9H2,1-3H3,(H2,17,18,19);1H
InChIKeyOVTMUVYPVDBSSC-UHFFFAOYSA-N
XLogP3.78
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.73
LogP ≤ 53.78
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-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979108
1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111979109
1-butan-2-yl-2-ethyl-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 110946243
1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111770779
1-[5-(diethylamino)pentan-2-yl]-2-ethyl-3-(2-phenylcyclopropyl)guanidine
CID 111000173
1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111770510
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide
CID 159264304
1,2-diethyl-3-(2-phenylcyclopropyl)guanidine
CID 47091817
2-ethyl-1-[1-(3-fluoro-4-methoxyphenyl)ethyl]-3-(2-phenylcyclopropyl)guanidine;hydroiodide
CID 111382488
1-[2-(3-chlorophenyl)cyclopropyl]-2-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111818867
1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111772220
1-[2-(3-chlorophenyl)cyclopropyl]-3-(3-hydroxybutyl)urea
CID 111456067

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide?
The IUPAC name of 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide (CID 111772039) is 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide is CC/N=C(\NC(C)C)NC1CC1c1cccc(Cl)c1.I.
What is the InChIKey of 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide?
The InChIKey is OVTMUVYPVDBSSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3.HI/c1-4-17-15(18-10(2)3)19-14-9-13(14)11-6-5-7-12(16)8-11;/h5-8,10,13-14H,4,9H2,1-3H3,(H2,17,18,19);1H.
What are the key properties of 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide?
1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide has a molecular weight of 407.73 g/mol, XLogP of 3.78, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide is sourced from PubChem (CID 111772039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).