1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine

C18H34N4S — CID 110999469

IUPAC1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1cccs1)NC(C)CCCN(CC)CC
InChIInChI=1S/C18H34N4S/c1-5-19-18(20-13-12-17-11-9-15-23-17)21-16(4)10-8-14-22(6-2)7-3/h9,11,15-16H,5-8,10,12-14H2,1-4H3,(H2,19,20,21)
InChIKeyFJVILXXDOXEBOO-UHFFFAOYSA-N
MW338.57 g/mol
LogP3.36
Rot. Bonds11

About 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine

1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine (PubChem CID 110999469) has the molecular formula C18H34N4S and a molecular weight of 338.57 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine.

Molecular Properties

Compound Name1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine
PubChem CID110999469
Molecular FormulaC18H34N4S
Molecular Weight338.57 g/mol
Exact Mass338.25
IUPAC Name1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine
SMILESCCN/C(=N\CCc1cccs1)NC(C)CCCN(CC)CC
InChIInChI=1S/C18H34N4S/c1-5-19-18(20-13-12-17-11-9-15-23-17)21-16(4)10-8-14-22(6-2)7-3/h9,11,15-16H,5-8,10,12-14H2,1-4H3,(H2,19,20,21)
InChIKeyFJVILXXDOXEBOO-UHFFFAOYSA-N
XLogP3.36
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.57
LogP ≤ 53.36
H-Bond Donors ≤ 52
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-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 110998601
1-[5-(diethylamino)pentan-2-yl]-2-methyl-3-(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 110999466
2-[[[5-(diethylamino)pentan-2-ylamino]-(2-thiophen-2-ylethylamino)methylidene]amino]-N,N-dimethylacetamide
CID 111860159
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]guanidine
CID 110998741
1-[5-(diethylamino)pentan-2-yl]-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methyl]-3-(2-thiophen-2-ylethyl)guanidine
CID 111860157
1-[5-(diethylamino)pentan-2-yl]-2-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]-3-ethylguanidine
CID 111826753
1-[5-(diethylamino)pentan-2-yl]-2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-ethylguanidine
CID 111759745
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethyl]guanidine;hydroiodide
CID 110999146
1-ethyl-2,3-bis(2-thiophen-2-ylethyl)guanidine;hydroiodide
CID 111350617
N-[2-[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]ethyl]furan-2-carboxamide
CID 110999019
1-[5-(diethylamino)pentan-2-yl]-2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-3-ethylguanidine
CID 110997705
N-benzyl-3-[[[5-(diethylamino)pentan-2-ylamino]-(ethylamino)methylidene]amino]propanamide
CID 110998809

Frequently Asked Questions

What is the IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine?
The IUPAC name of 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine (CID 110999469) is 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine.
What is the SMILES notation for 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine?
The canonical SMILES for 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine is CCN/C(=N\CCc1cccs1)NC(C)CCCN(CC)CC.
What is the InChIKey of 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine?
The InChIKey is FJVILXXDOXEBOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N4S/c1-5-19-18(20-13-12-17-11-9-15-23-17)21-16(4)10-8-14-22(6-2)7-3/h9,11,15-16H,5-8,10,12-14H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine?
1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine has a molecular weight of 338.57 g/mol, XLogP of 3.36, 11 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentan-2-yl]-3-ethyl-2-(2-thiophen-2-ylethyl)guanidine is sourced from PubChem (CID 110999469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).