1-cyclopentyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide

C20H30IN5O — CID 110052679

IUPAC1-cyclopentyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
SMILESCN(C)c1cccc(C/N=C(\NCCc2ccco2)NC2CCCC2)n1.I
InChIInChI=1S/C20H29N5O.HI/c1-25(2)19-11-5-9-17(23-19)15-22-20(24-16-7-3-4-8-16)21-13-12-18-10-6-14-26-18;/h5-6,9-11,14,16H,3-4,7-8,12-13,15H2,1-2H3,(H2,21,22,24);1H
InChIKeyZFNXUZWJNHDDLA-UHFFFAOYSA-N
MW483.40 g/mol
LogP3.58
Rot. Bonds7

About 1-cyclopentyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide

1-cyclopentyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide (PubChem CID 110052679) has the molecular formula C20H30IN5O and a molecular weight of 483.40 g/mol. Its IUPAC name is 1-cyclopentyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide.

Molecular Properties

Compound Name1-cyclopentyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
PubChem CID110052679
Molecular FormulaC20H30IN5O
Molecular Weight483.40 g/mol
Exact Mass483.15
IUPAC Name1-cyclopentyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
SMILESCN(C)c1cccc(C/N=C(\NCCc2ccco2)NC2CCCC2)n1.I
InChIInChI=1S/C20H29N5O.HI/c1-25(2)19-11-5-9-17(23-19)15-22-20(24-16-7-3-4-8-16)21-13-12-18-10-6-14-26-18;/h5-6,9-11,14,16H,3-4,7-8,12-13,15H2,1-2H3,(H2,21,22,24);1H
InChIKeyZFNXUZWJNHDDLA-UHFFFAOYSA-N
XLogP3.58
TPSA65.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 53.58
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'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-[2-(furan-2-yl)ethyl]-3-(oxolan-2-ylmethyl)guanidine;hydroiodide
CID 110053001
1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111494009
1-butyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine
CID 110052308
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938471
1-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 84590629
2-benzyl-1-cyclohexyl-3-[2-(furan-2-yl)ethyl]guanidine
CID 110954212
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-[(2-methylpyrazol-3-yl)methyl]guanidine;hydroiodide
CID 111354805
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(thiophen-2-ylmethyl)guanidine;hydroiodide
CID 110958702
1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 110991950
2-[[6-(dimethylamino)-2-pyridinyl]methyl]-1-ethyl-3-(4-methylcyclohexyl)guanidine;hydroiodide
CID 109401890
1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine
CID 111353446
methyl 4-[[[(cyclopentylamino)-[2-(furan-2-yl)ethylamino]methylidene]amino]methyl]benzoate;hydroiodide
CID 111841345

Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide?
The IUPAC name of 1-cyclopentyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide (CID 110052679) is 1-cyclopentyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide.
What is the SMILES notation for 1-cyclopentyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide?
The canonical SMILES for 1-cyclopentyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide is CN(C)c1cccc(C/N=C(\NCCc2ccco2)NC2CCCC2)n1.I.
What is the InChIKey of 1-cyclopentyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide?
The InChIKey is ZFNXUZWJNHDDLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O.HI/c1-25(2)19-11-5-9-17(23-19)15-22-20(24-16-7-3-4-8-16)21-13-12-18-10-6-14-26-18;/h5-6,9-11,14,16H,3-4,7-8,12-13,15H2,1-2H3,(H2,21,22,24);1H.
What are the key properties of 1-cyclopentyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide?
1-cyclopentyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide has a molecular weight of 483.40 g/mol, XLogP of 3.58, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide is sourced from PubChem (CID 110052679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).