2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine

C15H20ClN3 — CID 110031832

IUPAC2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine
SMILESCN(/C(N)=N/CC1(c2ccccc2Cl)CC1)C1CC1
InChIInChI=1S/C15H20ClN3/c1-19(11-6-7-11)14(17)18-10-15(8-9-15)12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3,(H2,17,18)
InChIKeyGINKXGALHPZVCX-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.78
Rot. Bonds4

About 2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine

2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine (PubChem CID 110031832) has the molecular formula C15H20ClN3 and a molecular weight of 277.80 g/mol. Its IUPAC name is 2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine.

Molecular Properties

Compound Name2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine
PubChem CID110031832
Molecular FormulaC15H20ClN3
Molecular Weight277.80 g/mol
Exact Mass277.13
IUPAC Name2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine
SMILESCN(/C(N)=N/CC1(c2ccccc2Cl)CC1)C1CC1
InChIInChI=1S/C15H20ClN3/c1-19(11-6-7-11)14(17)18-10-15(8-9-15)12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3,(H2,17,18)
InChIKeyGINKXGALHPZVCX-UHFFFAOYSA-N
XLogP2.78
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.78
H-Bond Donors ≤ 51
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-[[1-(2-chloro-4-fluorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110031853
2-[[1-(4-chlorophenyl)cyclopentyl]methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110030573
1-cyclopropyl-1-methyl-2-[(1-thiophen-2-ylcyclohexyl)methyl]guanidine
CID 110031366
2-[[1-(5-bromothiophen-2-yl)cyclobutyl]methyl]-1-cyclopropyl-1-methylguanidine
CID 120973045
N-[2-[[amino-[cyclopropyl(methyl)amino]methylidene]amino]ethyl]-2-chlorobenzamide;hydroiodide
CID 110029755
1-cyclopropyl-2-[[1-(3-methoxyphenyl)cyclopentyl]methyl]-1-methylguanidine;hydroiodide
CID 110031168
2-[2-(2-chlorophenoxy)butyl]-1-cyclopropyl-1-methylguanidine
CID 110031027
1-cyclopropyl-1-methyl-2-[(1-methylcyclopentyl)methyl]guanidine
CID 110031175
1-cyclopropyl-1-methyl-2-[[1-(1-phenylethylamino)cyclopentyl]methyl]guanidine
CID 110031198
1-cyclopropyl-2-[(1-hydroxycyclohexyl)methyl]-1-methylguanidine;hydroiodide
CID 110030510
2-[(4-chlorophenyl)methyl]-1-cyclopropyl-1-methylguanidine;hydroiodide
CID 110029377
1,1-diethyl-2-[[1-(2-methylphenyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 111098384

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine?
The IUPAC name of 2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine (CID 110031832) is 2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine.
What is the SMILES notation for 2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine?
The canonical SMILES for 2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine is CN(/C(N)=N/CC1(c2ccccc2Cl)CC1)C1CC1.
What is the InChIKey of 2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine?
The InChIKey is GINKXGALHPZVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3/c1-19(11-6-7-11)14(17)18-10-15(8-9-15)12-4-2-3-5-13(12)16/h2-5,11H,6-10H2,1H3,(H2,17,18).
What are the key properties of 2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine?
2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine has a molecular weight of 277.80 g/mol, XLogP of 2.78, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-chlorophenyl)cyclopropyl]methyl]-1-cyclopropyl-1-methylguanidine is sourced from PubChem (CID 110031832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).