1-butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine

C15H32N4O — CID 75533319

IUPAC1-butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine
SMILESCCCCN(C)/C(=N\C)NCC1CCCN1CCOC
InChIInChI=1S/C15H32N4O/c1-5-6-9-18(3)15(16-2)17-13-14-8-7-10-19(14)11-12-20-4/h14H,5-13H2,1-4H3,(H,16,17)
InChIKeySWTSUGOXDYQMSH-UHFFFAOYSA-N
MW284.45 g/mol
LogP1.40
Rot. Bonds8

About 1-butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine

1-butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine (PubChem CID 75533319) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine
PubChem CID75533319
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name1-butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine
SMILESCCCCN(C)/C(=N\C)NCC1CCCN1CCOC
InChIInChI=1S/C15H32N4O/c1-5-6-9-18(3)15(16-2)17-13-14-8-7-10-19(14)11-12-20-4/h14H,5-13H2,1-4H3,(H,16,17)
InChIKeySWTSUGOXDYQMSH-UHFFFAOYSA-N
XLogP1.40
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.45
LogP ≤ 51.40
H-Bond Donors ≤ 51
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

N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109377088
N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methyl-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109377089
N-ethyl-N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 109378793
N-ethyl-N'-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-4-(1,1,1-trifluoropropan-2-yl)piperazine-1-carboximidamide
CID 109378794
1-[[1-(2-Methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109472468
1-[[1-(2-Methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109472469
1-Ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine;hydroiodide
CID 109473994
1-Ethyl-2-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3,3,3-trifluoropropyl)guanidine
CID 109473995
1-(2-Methoxyethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 110940089
1-(2-Methoxyethyl)-2-methyl-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 110940090
1-Ethyl-2-(2-methoxyethyl)-3-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 110940092
1-(1-Methoxypropan-2-yl)-2-[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]guanidine
CID 111085571

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine?
The IUPAC name of 1-butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine (CID 75533319) is 1-butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine.
What is the SMILES notation for 1-butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine?
The canonical SMILES for 1-butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine is CCCCN(C)/C(=N\C)NCC1CCCN1CCOC.
What is the InChIKey of 1-butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine?
The InChIKey is SWTSUGOXDYQMSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32N4O/c1-5-6-9-18(3)15(16-2)17-13-14-8-7-10-19(14)11-12-20-4/h14H,5-13H2,1-4H3,(H,16,17).
What are the key properties of 1-butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine?
1-butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine has a molecular weight of 284.45 g/mol, XLogP of 1.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine is sourced from PubChem (CID 75533319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).