1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine

C14H28N4O — CID 111260389

IUPAC1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine
SMILESCCN1CCCC1CN/C(=N/C)NCC1CCOC1
InChIInChI=1S/C14H28N4O/c1-3-18-7-4-5-13(18)10-17-14(15-2)16-9-12-6-8-19-11-12/h12-13H,3-11H2,1-2H3,(H2,15,16,17)
InChIKeyYLDGHVJTDGBEPV-UHFFFAOYSA-N
MW268.40 g/mol
LogP0.67
Rot. Bonds5

About 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine

1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine (PubChem CID 111260389) has the molecular formula C14H28N4O and a molecular weight of 268.40 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine
PubChem CID111260389
Molecular FormulaC14H28N4O
Molecular Weight268.40 g/mol
Exact Mass268.23
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine
SMILESCCN1CCCC1CN/C(=N/C)NCC1CCOC1
InChIInChI=1S/C14H28N4O/c1-3-18-7-4-5-13(18)10-17-14(15-2)16-9-12-6-8-19-11-12/h12-13H,3-11H2,1-2H3,(H2,15,16,17)
InChIKeyYLDGHVJTDGBEPV-UHFFFAOYSA-N
XLogP0.67
TPSA48.89 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.40
LogP ≤ 50.67
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'}

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Related Compounds

1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-[(3-methyloxetan-3-yl)methyl]guanidine;hydroiodide
CID 111829789
1-cyclopentyl-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylguanidine
CID 110991413
1-[(1-ethylpiperidin-2-yl)methyl]-2-methyl-3-propylguanidine;hydroiodide
CID 111763442
2-methyl-1-[(1-methylpyrrolidin-3-yl)methyl]-3-(oxolan-3-ylmethyl)guanidine;hydroiodide
CID 119150936
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(2-methylsulfanylethyl)guanidine;hydroiodide
CID 111262972
1-(4,4-dimethylpentyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylguanidine
CID 111637930
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(2-oxo-2-piperidin-1-ylethyl)guanidine
CID 111261069
N-tert-butyl-2-[[N-[(1-ethylpyrrolidin-2-yl)methyl]-N'-methylcarbamimidoyl]amino]acetamide
CID 111262119
1-[(1-ethylpyrrolidin-2-yl)methyl]-3-[(5-ethylthiophen-2-yl)methyl]-2-methylguanidine
CID 111260541
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(5-methylhexan-2-yl)guanidine
CID 111203860
1-(3-butoxypropyl)-3-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111239764
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-[(4-methylphenyl)methyl]guanidine
CID 111244457

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine (CID 111260389) is 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine is CCN1CCCC1CN/C(=N/C)NCC1CCOC1.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine?
The InChIKey is YLDGHVJTDGBEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28N4O/c1-3-18-7-4-5-13(18)10-17-14(15-2)16-9-12-6-8-19-11-12/h12-13H,3-11H2,1-2H3,(H2,15,16,17).
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine?
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine has a molecular weight of 268.40 g/mol, XLogP of 0.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-methyl-3-(oxolan-3-ylmethyl)guanidine is sourced from PubChem (CID 111260389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).