2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine

C20H32N4O2 — CID 111909417

IUPAC2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
SMILESC/N=C(\NCCCOCC1CCCO1)NC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H32N4O2/c1-21-20(22-11-6-13-25-16-19-9-5-14-26-19)23-17-10-12-24(15-17)18-7-3-2-4-8-18/h2-4,7-8,17,19H,5-6,9-16H2,1H3,(H2,21,22,23)
InChIKeyWUXFQTGFTDGJAM-UHFFFAOYSA-N
MW360.50 g/mol
LogP2.02
Rot. Bonds8

About 2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine

2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine (PubChem CID 111909417) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine.

Molecular Properties

Compound Name2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
PubChem CID111909417
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
SMILESC/N=C(\NCCCOCC1CCCO1)NC1CCN(c2ccccc2)C1
InChIInChI=1S/C20H32N4O2/c1-21-20(22-11-6-13-25-16-19-9-5-14-26-19)23-17-10-12-24(15-17)18-7-3-2-4-8-18/h2-4,7-8,17,19H,5-6,9-16H2,1H3,(H2,21,22,23)
InChIKeyWUXFQTGFTDGJAM-UHFFFAOYSA-N
XLogP2.02
TPSA58.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-[3-(2-phenylethoxy)propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111911074
1-[4-(2-methoxyethoxy)butyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111911027
2-methyl-1-[4-(2-phenylethoxy)butyl]-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111911054
2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-(4-pyrrolidin-1-ylbutyl)guanidine
CID 111909657
1-[1-(4-bromophenyl)pyrrolidin-3-yl]-2-methyl-3-[2-(oxolan-2-yl)ethyl]guanidine;hydroiodide
CID 111917648
2-methyl-1-[2-(2-methylpropoxy)ethyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111908949
1-[1-(4-bromophenyl)pyrrolidin-3-yl]-3-[3-(cyclopropylmethoxy)propyl]-2-methylguanidine;hydroiodide
CID 111918030
2-methyl-1-(3-methylbutyl)-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111910773
1-[1-(3-chlorophenyl)pyrrolidin-3-yl]-2-methyl-3-[3-(oxolan-3-ylmethoxy)propyl]guanidine
CID 109462826
1-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910316
2-methyl-1-[4-(2-methylpiperidin-1-yl)butyl]-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909963
2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-[(1-phenylpyrazol-4-yl)methyl]guanidine;hydroiodide
CID 111407622

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine?
The IUPAC name of 2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine (CID 111909417) is 2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine.
What is the SMILES notation for 2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine?
The canonical SMILES for 2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine is C/N=C(\NCCCOCC1CCCO1)NC1CCN(c2ccccc2)C1.
What is the InChIKey of 2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine?
The InChIKey is WUXFQTGFTDGJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O2/c1-21-20(22-11-6-13-25-16-19-9-5-14-26-19)23-17-10-12-24(15-17)18-7-3-2-4-8-18/h2-4,7-8,17,19H,5-6,9-16H2,1H3,(H2,21,22,23).
What are the key properties of 2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine?
2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine has a molecular weight of 360.50 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-(oxolan-2-ylmethoxy)propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine is sourced from PubChem (CID 111909417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).