1,2-dimethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-pent-4-enylguanidine

C19H32N4OS — CID 109497886

IUPAC1,2-dimethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCC(c1cccs1)N1CCOC(C)C1
InChIInChI=1S/C19H32N4OS/c1-5-6-7-10-22(4)19(20-3)21-14-17(18-9-8-13-25-18)23-11-12-24-16(2)15-23/h5,8-9,13,16-17H,1,6-7,10-12,14-15H2,2-4H3,(H,20,21)
InChIKeyZTFMXIQDVXHYAK-UHFFFAOYSA-N
MW364.56 g/mol
LogP2.98
Rot. Bonds8

About 1,2-dimethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-pent-4-enylguanidine

1,2-dimethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-pent-4-enylguanidine (PubChem CID 109497886) has the molecular formula C19H32N4OS and a molecular weight of 364.56 g/mol. Its IUPAC name is 1,2-dimethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-pent-4-enylguanidine.

Molecular Properties

Compound Name1,2-dimethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-pent-4-enylguanidine
PubChem CID109497886
Molecular FormulaC19H32N4OS
Molecular Weight364.56 g/mol
Exact Mass364.23
IUPAC Name1,2-dimethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-pent-4-enylguanidine
SMILESC=CCCCN(C)/C(=N\C)NCC(c1cccs1)N1CCOC(C)C1
InChIInChI=1S/C19H32N4OS/c1-5-6-7-10-22(4)19(20-3)21-14-17(18-9-8-13-25-18)23-11-12-24-16(2)15-23/h5,8-9,13,16-17H,1,6-7,10-12,14-15H2,2-4H3,(H,20,21)
InChIKeyZTFMXIQDVXHYAK-UHFFFAOYSA-N
XLogP2.98
TPSA40.10 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.56
LogP ≤ 52.98
H-Bond Donors ≤ 51
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-(3-methoxypropyl)-2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 111965941
1-(3-ethoxypropyl)-2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine;hydroiodide
CID 111966172
2-methyl-1-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-(2-methylsulfanylethyl)guanidine
CID 111966339
1-ethyl-2-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-prop-2-enylguanidine
CID 111965961
2-methyl-1-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-(oxolan-2-ylmethyl)guanidine
CID 111966061
3-ethylsulfanyl-N-[(2R)-2-[(2R)-2-methylmorpholin-4-yl]-2-thiophen-2-ylethyl]propanamide
CID 97058927
1,2-dimethyl-3-(2-morpholin-4-yl-2-thiophen-2-ylethyl)-1-(2-phenoxyethyl)guanidine
CID 111273791
N,N-dimethyl-2-[[[[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]amino]-(2-methylpropylamino)methylidene]amino]acetamide
CID 110033391
1-[2-(4-fluorophenyl)ethyl]-2-methyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]guanidine
CID 111966191
1-ethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 111966252
2-methyl-1-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-[3-(2-methylpiperidin-1-yl)propyl]guanidine;hydroiodide
CID 111966428
2-methyl-1-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-3-[2-(3-methyl-4-pyridinyl)ethyl]guanidine
CID 109406424

Frequently Asked Questions

What is the IUPAC name of 1,2-dimethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-pent-4-enylguanidine?
The IUPAC name of 1,2-dimethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-pent-4-enylguanidine (CID 109497886) is 1,2-dimethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-pent-4-enylguanidine.
What is the SMILES notation for 1,2-dimethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-pent-4-enylguanidine?
The canonical SMILES for 1,2-dimethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-pent-4-enylguanidine is C=CCCCN(C)/C(=N\C)NCC(c1cccs1)N1CCOC(C)C1.
What is the InChIKey of 1,2-dimethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-pent-4-enylguanidine?
The InChIKey is ZTFMXIQDVXHYAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4OS/c1-5-6-7-10-22(4)19(20-3)21-14-17(18-9-8-13-25-18)23-11-12-24-16(2)15-23/h5,8-9,13,16-17H,1,6-7,10-12,14-15H2,2-4H3,(H,20,21).
What are the key properties of 1,2-dimethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-pent-4-enylguanidine?
1,2-dimethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-pent-4-enylguanidine has a molecular weight of 364.56 g/mol, XLogP of 2.98, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dimethyl-3-[2-(2-methylmorpholin-4-yl)-2-thiophen-2-ylethyl]-1-pent-4-enylguanidine is sourced from PubChem (CID 109497886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).