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

C15H32N4O — CID 95905478

IUPAC1-butyl-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine
SMILESCCCCN(C)/C(=N\C)NC[C@H]1CCCN1CCOC
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)/t14-/m1/s1
InChIKeySWTSUGOXDYQMSH-CQSZACIVSA-N
MW284.45 g/mol
LogP1.40
Rot. Bonds8

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

1-butyl-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine (PubChem CID 95905478) has the molecular formula C15H32N4O and a molecular weight of 284.45 g/mol. Its IUPAC name is 1-butyl-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine.

Molecular Properties

Compound Name1-butyl-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine
PubChem CID95905478
Molecular FormulaC15H32N4O
Molecular Weight284.45 g/mol
Exact Mass284.26
IUPAC Name1-butyl-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine
SMILESCCCCN(C)/C(=N\C)NC[C@H]1CCCN1CCOC
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)/t14-/m1/s1
InChIKeySWTSUGOXDYQMSH-CQSZACIVSA-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

1-butyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylguanidine
CID 111150136
3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1-[(2-methoxyphenyl)methyl]-1,2-dimethylguanidine;hydroiodide
CID 111282144
1-[2-(2-butoxyethoxy)ethyl]-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylguanidine
CID 111694142
1-[2-(2-butoxyethoxy)ethyl]-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylguanidine;hydroiodide
CID 111694141
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110975800
1-(2-ethylbutyl)-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylguanidine;hydroiodide
CID 111891784
1,2-dimethyl-3-[(1-methylpyrrolidin-2-yl)methyl]-1-pent-4-enylguanidine;hydroiodide
CID 109498685
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-(2-methylpropyl)guanidine
CID 111178748
1-cyclohexyl-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylguanidine;hydroiodide
CID 110958674
1-[(1-ethylcyclobutyl)methyl]-3-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methylguanidine;hydroiodide
CID 109469430
tert-butyl N-[3-[[N-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-N'-methylcarbamimidoyl]amino]propyl]carbamate
CID 111887489
1-[[1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-2-methyl-3-[3-(4-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111386749

Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine?
The IUPAC name of 1-butyl-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine (CID 95905478) is 1-butyl-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine.
What is the SMILES notation for 1-butyl-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine?
The canonical SMILES for 1-butyl-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine is CCCCN(C)/C(=N\C)NC[C@H]1CCCN1CCOC.
What is the InChIKey of 1-butyl-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine?
The InChIKey is SWTSUGOXDYQMSH-CQSZACIVSA-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)/t14-/m1/s1.
What are the key properties of 1-butyl-3-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine?
1-butyl-3-[[(2R)-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-[[(2R)-1-(2-methoxyethyl)pyrrolidin-2-yl]methyl]-1,2-dimethylguanidine is sourced from PubChem (CID 95905478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).