1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine

C19H33N5OS — CID 111721995

IUPAC1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
SMILESCCN1CCCC1CN/C(N)=N/CC(c1cccs1)N1CCOC(C)C1
InChIInChI=1S/C19H33N5OS/c1-3-23-8-4-6-16(23)12-21-19(20)22-13-17(18-7-5-11-26-18)24-9-10-25-15(2)14-24/h5,7,11,15-17H,3-4,6,8-10,12-14H2,1-2H3,(H3,20,21,22)
InChIKeyBDLZIIKHTVONOP-UHFFFAOYSA-N
MW379.57 g/mol
LogP1.90
Rot. Bonds7

About 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine

1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine (PubChem CID 111721995) has the molecular formula C19H33N5OS and a molecular weight of 379.57 g/mol. Its IUPAC name is 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine.

Molecular Properties

Compound Name1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
PubChem CID111721995
Molecular FormulaC19H33N5OS
Molecular Weight379.57 g/mol
Exact Mass379.24
IUPAC Name1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
SMILESCCN1CCCC1CN/C(N)=N/CC(c1cccs1)N1CCOC(C)C1
InChIInChI=1S/C19H33N5OS/c1-3-23-8-4-6-16(23)12-21-19(20)22-13-17(18-7-5-11-26-18)24-9-10-25-15(2)14-24/h5,7,11,15-17H,3-4,6,8-10,12-14H2,1-2H3,(H3,20,21,22)
InChIKeyBDLZIIKHTVONOP-UHFFFAOYSA-N
XLogP1.90
TPSA66.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.57
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)guanidine
CID 111029884
1-butan-2-yl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 111722041
2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-(4-methylphenyl)guanidine
CID 111722037
1-cyclopentyl-3-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide
CID 111965976
2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 119142402
2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-(3-propan-2-ylphenyl)guanidine
CID 111722071
1-ethyl-3-(3-methylbutyl)-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide
CID 111965952
1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine
CID 111965961
2-methyl-N'-(2-pyrrolidin-1-yl-2-thiophen-2-ylethyl)morpholine-4-carboximidamide
CID 120661078
1-ethyl-3-(2-methoxyethyl)-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide
CID 111965892
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)propyl]-1-[(1-ethylpyrrolidin-2-yl)methyl]guanidine;hydroiodide
CID 111067735
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-(2-methoxy-2-phenylethyl)guanidine;hydroiodide
CID 111043621

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine?
The IUPAC name of 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine (CID 111721995) is 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine.
What is the SMILES notation for 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine?
The canonical SMILES for 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine is CCN1CCCC1CN/C(N)=N/CC(c1cccs1)N1CCOC(C)C1.
What is the InChIKey of 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine?
The InChIKey is BDLZIIKHTVONOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5OS/c1-3-23-8-4-6-16(23)12-21-19(20)22-13-17(18-7-5-11-26-18)24-9-10-25-15(2)14-24/h5,7,11,15-17H,3-4,6,8-10,12-14H2,1-2H3,(H3,20,21,22).
What are the key properties of 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine?
1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine has a molecular weight of 379.57 g/mol, XLogP of 1.90, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylpyrrolidin-2-yl)methyl]-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine is sourced from PubChem (CID 111721995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).