1-cyclopentyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine

C18H32N4O — CID 110989727

IUPAC1-cyclopentyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CC(c1ccco1)N(CC)CC)NC1CCCC1
InChIInChI=1S/C18H32N4O/c1-4-19-18(21-15-10-7-8-11-15)20-14-16(22(5-2)6-3)17-12-9-13-23-17/h9,12-13,15-16H,4-8,10-11,14H2,1-3H3,(H2,19,20,21)
InChIKeyCGLIMHCICWWZNN-UHFFFAOYSA-N
MW320.48 g/mol
LogP3.16
Rot. Bonds8

About 1-cyclopentyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine

1-cyclopentyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine (PubChem CID 110989727) has the molecular formula C18H32N4O and a molecular weight of 320.48 g/mol. Its IUPAC name is 1-cyclopentyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine.

Molecular Properties

Compound Name1-cyclopentyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine
PubChem CID110989727
Molecular FormulaC18H32N4O
Molecular Weight320.48 g/mol
Exact Mass320.26
IUPAC Name1-cyclopentyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine
SMILESCCN/C(=N\CC(c1ccco1)N(CC)CC)NC1CCCC1
InChIInChI=1S/C18H32N4O/c1-4-19-18(21-15-10-7-8-11-15)20-14-16(22(5-2)6-3)17-12-9-13-23-17/h9,12-13,15-16H,4-8,10-11,14H2,1-3H3,(H2,19,20,21)
InChIKeyCGLIMHCICWWZNN-UHFFFAOYSA-N
XLogP3.16
TPSA52.80 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.48
LogP ≤ 53.16
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-tert-butyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine
CID 110964281
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methylcyclohexyl)guanidine
CID 111256659
2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-(3-ethylsulfinylcyclohexyl)guanidine;hydroiodide
CID 109440958
1-(1-benzylpiperidin-4-yl)-2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 110986697
1-[2-(2-butoxyethoxy)ethyl]-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine;hydroiodide
CID 111693769
3-[[N'-[2-(diethylamino)-2-(furan-2-yl)ethyl]-N-ethylcarbamimidoyl]amino]-N,N-diethylpropanamide;hydroiodide
CID 111941684
2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(furan-2-ylmethoxy)propyl]guanidine
CID 111398897
2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-[3-(2-methoxyethoxy)propyl]guanidine;hydroiodide
CID 111404746
1-(1-cyclopropylpiperidin-4-yl)-3-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine;hydroiodide
CID 111989894
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine;hydroiodide
CID 111318453
1-ethyl-2-[2-(furan-2-yl)-2-hydroxyethyl]-3-(1-phenylpiperidin-4-yl)guanidine
CID 111992013
2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1-ethyl-3-(oxolan-2-ylmethyl)guanidine
CID 111136679

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine?
The IUPAC name of 1-cyclopentyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine (CID 110989727) is 1-cyclopentyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine.
What is the SMILES notation for 1-cyclopentyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine?
The canonical SMILES for 1-cyclopentyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine is CCN/C(=N\CC(c1ccco1)N(CC)CC)NC1CCCC1.
What is the InChIKey of 1-cyclopentyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine?
The InChIKey is CGLIMHCICWWZNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O/c1-4-19-18(21-15-10-7-8-11-15)20-14-16(22(5-2)6-3)17-12-9-13-23-17/h9,12-13,15-16H,4-8,10-11,14H2,1-3H3,(H2,19,20,21).
What are the key properties of 1-cyclopentyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine?
1-cyclopentyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine has a molecular weight of 320.48 g/mol, XLogP of 3.16, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-ethylguanidine is sourced from PubChem (CID 110989727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).