2-(2-chloroprop-2-enyl)-1-cyclopropyl-3-ethylguanidine

C9H16ClN3 — CID 119141171

IUPAC2-(2-chloroprop-2-enyl)-1-cyclopropyl-3-ethylguanidine
SMILESC=C(Cl)C/N=C(\NCC)NC1CC1
InChIInChI=1S/C9H16ClN3/c1-3-11-9(12-6-7(2)10)13-8-4-5-8/h8H,2-6H2,1H3,(H2,11,12,13)
InChIKeyRETAHXQJAXOXNH-UHFFFAOYSA-N
MW201.70 g/mol
LogP1.46
Rot. Bonds4

About 2-(2-chloroprop-2-enyl)-1-cyclopropyl-3-ethylguanidine

2-(2-chloroprop-2-enyl)-1-cyclopropyl-3-ethylguanidine (PubChem CID 119141171) has the molecular formula C9H16ClN3 and a molecular weight of 201.70 g/mol. Its IUPAC name is 2-(2-chloroprop-2-enyl)-1-cyclopropyl-3-ethylguanidine.

Molecular Properties

Compound Name2-(2-chloroprop-2-enyl)-1-cyclopropyl-3-ethylguanidine
PubChem CID119141171
Molecular FormulaC9H16ClN3
Molecular Weight201.70 g/mol
Exact Mass201.10
IUPAC Name2-(2-chloroprop-2-enyl)-1-cyclopropyl-3-ethylguanidine
SMILESC=C(Cl)C/N=C(\NCC)NC1CC1
InChIInChI=1S/C9H16ClN3/c1-3-11-9(12-6-7(2)10)13-8-4-5-8/h8H,2-6H2,1H3,(H2,11,12,13)
InChIKeyRETAHXQJAXOXNH-UHFFFAOYSA-N
XLogP1.46
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.70
LogP ≤ 51.46
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'}

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Related Compounds

2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110989030
2-[[(cyclopentylamino)-(ethylamino)methylidene]amino]-N-cyclopropylacetamide;hydroiodide
CID 110992178
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-ethylacetamide;hydroiodide
CID 110958738
2-(2-chloroprop-2-enyl)-1-(7,7-dimethyl-2-oxabicyclo[3.2.0]heptan-6-yl)-3-ethylguanidine
CID 119160533
N-cyclopropyl-4-[[(cyclopropylamino)-(ethylamino)methylidene]amino]butanamide
CID 110988911
N-cyclopropyl-2-[[(2-ethoxyethylamino)-(ethylamino)methylidene]amino]acetamide
CID 111894403
2-[[(cyclohexylamino)-(ethylamino)methylidene]amino]-N-propylacetamide
CID 110958747
1-ethyl-3-(4-methylcyclohexyl)-2-(2-oxo-2-pyrrolidin-1-ylethyl)guanidine
CID 111256941
2-[[(cyclopropylamino)-(ethylamino)methylidene]amino]-N-methyl-N-(2,2,2-trifluoroethyl)acetamide
CID 111495614
N-tert-butyl-2-[[ethylamino-[(4-hydroxycyclohexyl)amino]methylidene]amino]acetamide;hydroiodide
CID 111189663
ethyl 4-[[N'-[2-(cyclohexylamino)-2-oxoethyl]-N-ethylcarbamimidoyl]amino]piperidine-1-carboxylate
CID 111329714
1-cyclopropyl-3-ethyl-2-(4-methylpentyl)guanidine;hydroiodide
CID 110987969

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroprop-2-enyl)-1-cyclopropyl-3-ethylguanidine?
The IUPAC name of 2-(2-chloroprop-2-enyl)-1-cyclopropyl-3-ethylguanidine (CID 119141171) is 2-(2-chloroprop-2-enyl)-1-cyclopropyl-3-ethylguanidine.
What is the SMILES notation for 2-(2-chloroprop-2-enyl)-1-cyclopropyl-3-ethylguanidine?
The canonical SMILES for 2-(2-chloroprop-2-enyl)-1-cyclopropyl-3-ethylguanidine is C=C(Cl)C/N=C(\NCC)NC1CC1.
What is the InChIKey of 2-(2-chloroprop-2-enyl)-1-cyclopropyl-3-ethylguanidine?
The InChIKey is RETAHXQJAXOXNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN3/c1-3-11-9(12-6-7(2)10)13-8-4-5-8/h8H,2-6H2,1H3,(H2,11,12,13).
What are the key properties of 2-(2-chloroprop-2-enyl)-1-cyclopropyl-3-ethylguanidine?
2-(2-chloroprop-2-enyl)-1-cyclopropyl-3-ethylguanidine has a molecular weight of 201.70 g/mol, XLogP of 1.46, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroprop-2-enyl)-1-cyclopropyl-3-ethylguanidine is sourced from PubChem (CID 119141171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).