2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-prop-2-enylguanidine

C17H26N4O — CID 110913763

IUPAC2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CC(c1cccc(OC)c1)N1CCCC1
InChIInChI=1S/C17H26N4O/c1-3-9-19-17(18)20-13-16(21-10-4-5-11-21)14-7-6-8-15(12-14)22-2/h3,6-8,12,16H,1,4-5,9-11,13H2,2H3,(H3,18,19,20)
InChIKeyNJDOLYORMGOBDC-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.92
Rot. Bonds7

About 2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-prop-2-enylguanidine

2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-prop-2-enylguanidine (PubChem CID 110913763) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-prop-2-enylguanidine.

Molecular Properties

Compound Name2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-prop-2-enylguanidine
PubChem CID110913763
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-prop-2-enylguanidine
SMILESC=CCN/C(N)=N/CC(c1cccc(OC)c1)N1CCCC1
InChIInChI=1S/C17H26N4O/c1-3-9-19-17(18)20-13-16(21-10-4-5-11-21)14-7-6-8-15(12-14)22-2/h3,6-8,12,16H,1,4-5,9-11,13H2,2H3,(H3,18,19,20)
InChIKeyNJDOLYORMGOBDC-UHFFFAOYSA-N
XLogP1.92
TPSA62.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyethyl)-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 110913764
1,3-diethyl-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 110924791
2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-[4-(trifluoromethoxy)phenyl]guanidine;hydroiodide
CID 111030435
2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1,1,3,3-tetramethylguanidine
CID 111030442
ethyl 4-[[N'-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate
CID 111030448
1-cyclopropyl-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-methylguanidine;hydroiodide
CID 110029515
ethyl 4-[[N'-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111030447
2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-1-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-prop-2-enylguanidine;hydroiodide
CID 111346634
2-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-prop-2-enylguanidine
CID 54726546
1-cyclopentyl-3-ethyl-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine
CID 110991711
1-(3-methoxyphenyl)-2-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111085938
1-(3,4-dihydro-2H-chromen-4-yl)-2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111597665

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-prop-2-enylguanidine?
The IUPAC name of 2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-prop-2-enylguanidine (CID 110913763) is 2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-prop-2-enylguanidine.
What is the SMILES notation for 2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-prop-2-enylguanidine?
The canonical SMILES for 2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-prop-2-enylguanidine is C=CCN/C(N)=N/CC(c1cccc(OC)c1)N1CCCC1.
What is the InChIKey of 2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-prop-2-enylguanidine?
The InChIKey is NJDOLYORMGOBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-3-9-19-17(18)20-13-16(21-10-4-5-11-21)14-7-6-8-15(12-14)22-2/h3,6-8,12,16H,1,4-5,9-11,13H2,2H3,(H3,18,19,20).
What are the key properties of 2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-prop-2-enylguanidine?
2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-prop-2-enylguanidine has a molecular weight of 302.42 g/mol, XLogP of 1.92, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-1-prop-2-enylguanidine is sourced from PubChem (CID 110913763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).