1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine

C18H26ClN3O — CID 111979109

IUPAC1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine
SMILESCC/N=C(/NC1CCC(O)CC1)NC1CC1c1cccc(Cl)c1
InChIInChI=1S/C18H26ClN3O/c1-2-20-18(21-14-6-8-15(23)9-7-14)22-17-11-16(17)12-4-3-5-13(19)10-12/h3-5,10,14-17,23H,2,6-9,11H2,1H3,(H2,20,21,22)
InChIKeyMWJPXULNKCHEHC-UHFFFAOYSA-N
MW335.88 g/mol
LogP3.05
Rot. Bonds4

About 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine

1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine (PubChem CID 111979109) has the molecular formula C18H26ClN3O and a molecular weight of 335.88 g/mol. Its IUPAC name is 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine.

Molecular Properties

Compound Name1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine
PubChem CID111979109
Molecular FormulaC18H26ClN3O
Molecular Weight335.88 g/mol
Exact Mass335.18
IUPAC Name1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine
SMILESCC/N=C(/NC1CCC(O)CC1)NC1CC1c1cccc(Cl)c1
InChIInChI=1S/C18H26ClN3O/c1-2-20-18(21-14-6-8-15(23)9-7-14)22-17-11-16(17)12-4-3-5-13(19)10-12/h3-5,10,14-17,23H,2,6-9,11H2,1H3,(H2,20,21,22)
InChIKeyMWJPXULNKCHEHC-UHFFFAOYSA-N
XLogP3.05
TPSA56.65 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.88
LogP ≤ 53.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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

1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111979108
1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-propan-2-ylguanidine;hydroiodide
CID 111772039
2-ethyl-1-(4-hydroxycyclohexyl)-3-(2-methylcyclopropyl)guanidine
CID 111190784
1-cyclopropyl-2-ethyl-3-[2-(2-methylphenyl)cyclopropyl]guanidine;hydroiodide
CID 111771151
1-cyclopropyl-3-[(1R,2S)-2-(3-ethoxyphenyl)cyclopropyl]-2-methylguanidine
CID 122082396
1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(oxolan-2-ylmethyl)guanidine
CID 111772220
1-[2-(3-chlorophenyl)cyclopropyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 111770510
1-[2-(3-chlorophenyl)cyclopropyl]-2-methyl-3-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111770779
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-[(1-ethylpyrrolidin-2-yl)methyl]guanidine
CID 111818868
N-[(1R,2S)-2-(3-chlorophenyl)cyclopropyl]-2-ethylpentanamide
CID 159264304

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The IUPAC name of 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine (CID 111979109) is 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine.
What is the SMILES notation for 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The canonical SMILES for 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine is CC/N=C(/NC1CCC(O)CC1)NC1CC1c1cccc(Cl)c1.
What is the InChIKey of 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The InChIKey is MWJPXULNKCHEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN3O/c1-2-20-18(21-14-6-8-15(23)9-7-14)22-17-11-16(17)12-4-3-5-13(19)10-12/h3-5,10,14-17,23H,2,6-9,11H2,1H3,(H2,20,21,22).
What are the key properties of 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine?
1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine has a molecular weight of 335.88 g/mol, XLogP of 3.05, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-chlorophenyl)cyclopropyl]-2-ethyl-3-(4-hydroxycyclohexyl)guanidine is sourced from PubChem (CID 111979109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).