1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine

C20H37N5O — CID 111016865

IUPAC1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/C)NCC(c2ccco2)N(CC)CC)CC1
InChIInChI=1S/C20H37N5O/c1-5-12-24-13-10-17(11-14-24)23-20(21-4)22-16-18(25(6-2)7-3)19-9-8-15-26-19/h8-9,15,17-18H,5-7,10-14,16H2,1-4H3,(H2,21,22,23)
InChIKeyRMDZOBMGCIULAI-UHFFFAOYSA-N
MW363.55 g/mol
LogP2.70
Rot. Bonds9

About 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine

1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine (PubChem CID 111016865) has the molecular formula C20H37N5O and a molecular weight of 363.55 g/mol. Its IUPAC name is 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine.

Molecular Properties

Compound Name1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
PubChem CID111016865
Molecular FormulaC20H37N5O
Molecular Weight363.55 g/mol
Exact Mass363.30
IUPAC Name1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
SMILESCCCN1CCC(N/C(=N/C)NCC(c2ccco2)N(CC)CC)CC1
InChIInChI=1S/C20H37N5O/c1-5-12-24-13-10-17(11-14-24)23-20(21-4)22-16-18(25(6-2)7-3)19-9-8-15-26-19/h8-9,15,17-18H,5-7,10-14,16H2,1-4H3,(H2,21,22,23)
InChIKeyRMDZOBMGCIULAI-UHFFFAOYSA-N
XLogP2.70
TPSA56.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 52.70
H-Bond Donors ≤ 52
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

1-[2-(diethylamino)-2-thiophen-3-ylethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111017263
1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110986695
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide
CID 111925288
1-(1-acetylpiperidin-4-yl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 119133320
1-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine
CID 111018871
1-(2,2-diphenylethyl)-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111019164
1-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine;hydroiodide
CID 111017322
N-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N',4-dimethylpiperidine-1-carboximidamide
CID 111210893
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-(3-ethylsulfinylcyclohexyl)-2-methylguanidine;hydroiodide
CID 109439680
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111908978
1-(3-butoxypropyl)-3-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine
CID 111239663
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(3-methylbutyl)guanidine
CID 110977065

Frequently Asked Questions

What is the IUPAC name of 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine?
The IUPAC name of 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine (CID 111016865) is 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine.
What is the SMILES notation for 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine?
The canonical SMILES for 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine is CCCN1CCC(N/C(=N/C)NCC(c2ccco2)N(CC)CC)CC1.
What is the InChIKey of 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine?
The InChIKey is RMDZOBMGCIULAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H37N5O/c1-5-12-24-13-10-17(11-14-24)23-20(21-4)22-16-18(25(6-2)7-3)19-9-8-15-26-19/h8-9,15,17-18H,5-7,10-14,16H2,1-4H3,(H2,21,22,23).
What are the key properties of 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine?
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine has a molecular weight of 363.55 g/mol, XLogP of 2.70, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-propylpiperidin-4-yl)guanidine is sourced from PubChem (CID 111016865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).