3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide

C19H33IN4O — CID 109496030

IUPAC3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N/CC(c1ccco1)N1CCCC1)NCC.I
InChIInChI=1S/C19H32N4O.HI/c1-4-6-7-12-22(3)19(20-5-2)21-16-17(18-11-10-15-24-18)23-13-8-9-14-23;/h4,10-11,15,17H,1,5-9,12-14,16H2,2-3H3,(H,20,21);1H
InChIKeyGHGUOJPQAZWMQQ-UHFFFAOYSA-N
MW460.40 g/mol
LogP3.90
Rot. Bonds9

About 3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide

3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide (PubChem CID 109496030) has the molecular formula C19H33IN4O and a molecular weight of 460.40 g/mol. Its IUPAC name is 3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide.

Molecular Properties

Compound Name3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide
PubChem CID109496030
Molecular FormulaC19H33IN4O
Molecular Weight460.40 g/mol
Exact Mass460.17
IUPAC Name3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide
SMILESC=CCCCN(C)/C(=N/CC(c1ccco1)N1CCCC1)NCC.I
InChIInChI=1S/C19H32N4O.HI/c1-4-6-7-12-22(3)19(20-5-2)21-16-17(18-11-10-15-24-18)23-13-8-9-14-23;/h4,10-11,15,17H,1,5-9,12-14,16H2,2-3H3,(H,20,21);1H
InChIKeyGHGUOJPQAZWMQQ-UHFFFAOYSA-N
XLogP3.90
TPSA44.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.40
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine;hydroiodide
CID 109498989
2-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-3-ethyl-1-methyl-1-pent-4-enylguanidine
CID 109498990
1-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-prop-2-enylguanidine;hydroiodide
CID 110981880
3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-1-(oxolan-3-ylmethyl)guanidine
CID 109385010
3-ethyl-2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109423755
1-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111001980
3-ethyl-1-methyl-2-[3-methyl-2-(4-methylpiperazin-1-yl)butyl]-1-pent-4-enylguanidine;hydroiodide
CID 109497739
2-[(2R)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-prop-2-enylguanidine
CID 54726546
1-[3-(diethylamino)propyl]-3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine
CID 111007947
1-[2-[cyclopentyl(methyl)amino]ethyl]-3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111834272
2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1,1,3,3-tetramethylguanidine
CID 111028642
1-ethyl-3-[2-[ethyl(propyl)amino]ethyl]-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]guanidine;hydroiodide
CID 111834280

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide?
The IUPAC name of 3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide (CID 109496030) is 3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide.
What is the SMILES notation for 3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide?
The canonical SMILES for 3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide is C=CCCCN(C)/C(=N/CC(c1ccco1)N1CCCC1)NCC.I.
What is the InChIKey of 3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide?
The InChIKey is GHGUOJPQAZWMQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N4O.HI/c1-4-6-7-12-22(3)19(20-5-2)21-16-17(18-11-10-15-24-18)23-13-8-9-14-23;/h4,10-11,15,17H,1,5-9,12-14,16H2,2-3H3,(H,20,21);1H.
What are the key properties of 3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide?
3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide has a molecular weight of 460.40 g/mol, XLogP of 3.90, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-1-methyl-1-pent-4-enylguanidine;hydroiodide is sourced from PubChem (CID 109496030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).