1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine

C16H25N3O — CID 110991193

IUPAC1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCc1ccc(OC)cc1)NC1CCCC1
InChIInChI=1S/C16H25N3O/c1-17-16(19-14-5-3-4-6-14)18-12-11-13-7-9-15(20-2)10-8-13/h7-10,14H,3-6,11-12H2,1-2H3,(H2,17,18,19)
InChIKeyRATWXDDAHIOREQ-UHFFFAOYSA-N
MW275.40 g/mol
LogP2.35
Rot. Bonds5

About 1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine

1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine (PubChem CID 110991193) has the molecular formula C16H25N3O and a molecular weight of 275.40 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
PubChem CID110991193
Molecular FormulaC16H25N3O
Molecular Weight275.40 g/mol
Exact Mass275.20
IUPAC Name1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
SMILESC/N=C(\NCCc1ccc(OC)cc1)NC1CCCC1
InChIInChI=1S/C16H25N3O/c1-17-16(19-14-5-3-4-6-14)18-12-11-13-7-9-15(20-2)10-8-13/h7-10,14H,3-6,11-12H2,1-2H3,(H2,17,18,19)
InChIKeyRATWXDDAHIOREQ-UHFFFAOYSA-N
XLogP2.35
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.35
H-Bond Donors ≤ 52
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-cyclopropyl-3-[2-[4-(4-methoxyphenoxy)phenyl]ethyl]-2-methylguanidine
CID 109394192
1-cyclopentyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 110991331
1-cyclopentyl-3-[(4-methoxyphenyl)methyl]-2-methylguanidine;hydroiodide
CID 110991210
1-cyclopropyl-3-[4-(4-methoxyphenyl)butyl]-2-methylguanidine;hydroiodide
CID 111975099
methyl 4-[2-[(N-cyclohexyl-N'-methylcarbamimidoyl)amino]ethyl]benzoate
CID 110958927
1-(1,1-dioxothiolan-3-yl)-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine
CID 111142081
1-cyclohexyl-3-[2-(3-methoxy-4-methylphenyl)ethyl]-2-methylguanidine
CID 111589368
1-cyclopentyl-2-methyl-3-(2-naphthalen-2-ylethyl)guanidine;hydroiodide
CID 110990646
1-cyclopropyl-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine;hydroiodide
CID 110933580
1-cyclopentyl-2-methyl-3-[2-(4-methylsulfonylphenyl)ethyl]guanidine
CID 111791010
1-[2-(4-methoxyphenyl)ethyl]-2-methyl-3-propan-2-ylguanidine
CID 111125708
1-cyclopropyl-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-methylguanidine
CID 110933653

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine?
The IUPAC name of 1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine (CID 110991193) is 1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine.
What is the SMILES notation for 1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine?
The canonical SMILES for 1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine is C/N=C(\NCCc1ccc(OC)cc1)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine?
The InChIKey is RATWXDDAHIOREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O/c1-17-16(19-14-5-3-4-6-14)18-12-11-13-7-9-15(20-2)10-8-13/h7-10,14H,3-6,11-12H2,1-2H3,(H2,17,18,19).
What are the key properties of 1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine?
1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine has a molecular weight of 275.40 g/mol, XLogP of 2.35, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(4-methoxyphenyl)ethyl]-2-methylguanidine is sourced from PubChem (CID 110991193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).