2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine

C19H34N4OS — CID 111189178

IUPAC2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\CC(c1ccsc1)N(CC)CC)NC1CCC(O)CC1
InChIInChI=1S/C19H34N4OS/c1-4-20-19(22-16-7-9-17(24)10-8-16)21-13-18(23(5-2)6-3)15-11-12-25-14-15/h11-12,14,16-18,24H,4-10,13H2,1-3H3,(H2,20,21,22)
InChIKeyWRBJVDDNIFMJKG-UHFFFAOYSA-N
MW366.58 g/mol
LogP2.99
Rot. Bonds8

About 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine

2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine (PubChem CID 111189178) has the molecular formula C19H34N4OS and a molecular weight of 366.58 g/mol. Its IUPAC name is 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine.

Molecular Properties

Compound Name2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
PubChem CID111189178
Molecular FormulaC19H34N4OS
Molecular Weight366.58 g/mol
Exact Mass366.25
IUPAC Name2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
SMILESCCN/C(=N\CC(c1ccsc1)N(CC)CC)NC1CCC(O)CC1
InChIInChI=1S/C19H34N4OS/c1-4-20-19(22-16-7-9-17(24)10-8-16)21-13-18(23(5-2)6-3)15-11-12-25-14-15/h11-12,14,16-18,24H,4-10,13H2,1-3H3,(H2,20,21,22)
InChIKeyWRBJVDDNIFMJKG-UHFFFAOYSA-N
XLogP2.99
TPSA59.89 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.58
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3,3,3-trifluoropropyl)guanidine
CID 109474791
2-[2-(diethylamino)propyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111190048
2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine;hydroiodide
CID 111189717
2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(3-morpholin-4-ylpropyl)guanidine;hydroiodide
CID 110971688
2-[2-(3,4-dimethoxyphenyl)-2-(dimethylamino)ethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine
CID 111189618
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-thiophen-2-ylpropyl)guanidine;hydroiodide
CID 111979338
4-acetyl-N'-[2-(diethylamino)-2-thiophen-3-ylethyl]-N-ethylpiperazine-1-carboximidamide
CID 110962529
1-ethyl-2-(2-ethylbutyl)-3-(4-hydroxycyclohexyl)guanidine
CID 111979471
1-cyclopentyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine
CID 110989727
1-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111017263
1-cyclopropyl-2-[2-(dimethylamino)-2-(4-methylphenyl)ethyl]-3-ethylguanidine;hydroiodide
CID 110989416
1-ethyl-3-(4-hydroxycyclohexyl)-2-(2-methoxy-2-phenylethyl)guanidine;hydroiodide
CID 111189715

Frequently Asked Questions

What is the IUPAC name of 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The IUPAC name of 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine (CID 111189178) is 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine.
What is the SMILES notation for 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The canonical SMILES for 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine is CCN/C(=N\CC(c1ccsc1)N(CC)CC)NC1CCC(O)CC1.
What is the InChIKey of 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
The InChIKey is WRBJVDDNIFMJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34N4OS/c1-4-20-19(22-16-7-9-17(24)10-8-16)21-13-18(23(5-2)6-3)15-11-12-25-14-15/h11-12,14,16-18,24H,4-10,13H2,1-3H3,(H2,20,21,22).
What are the key properties of 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine?
2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine has a molecular weight of 366.58 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(diethylamino)-2-thiophen-3-ylethyl]-1-ethyl-3-(4-hydroxycyclohexyl)guanidine is sourced from PubChem (CID 111189178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).