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

C20H30IN5O — CID 111908978

IUPAC1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
SMILESC/N=C(\NCC(c1ccco1)N(C)C)NC1CCN(c2ccccc2)C1.I
InChIInChI=1S/C20H29N5O.HI/c1-21-20(22-14-18(24(2)3)19-10-7-13-26-19)23-16-11-12-25(15-16)17-8-5-4-6-9-17;/h4-10,13,16,18H,11-12,14-15H2,1-3H3,(H2,21,22,23);1H
InChIKeyGSNLMRSWNJPGNF-UHFFFAOYSA-N
MW483.40 g/mol
LogP2.94
Rot. Bonds6

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

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide (PubChem CID 111908978) has the molecular formula C20H30IN5O and a molecular weight of 483.40 g/mol. Its IUPAC name is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
PubChem CID111908978
Molecular FormulaC20H30IN5O
Molecular Weight483.40 g/mol
Exact Mass483.15
IUPAC Name1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
SMILESC/N=C(\NCC(c1ccco1)N(C)C)NC1CCN(c2ccccc2)C1.I
InChIInChI=1S/C20H29N5O.HI/c1-21-20(22-14-18(24(2)3)19-10-7-13-26-19)23-16-11-12-25(15-16)17-8-5-4-6-9-17;/h4-10,13,16,18H,11-12,14-15H2,1-3H3,(H2,21,22,23);1H
InChIKeyGSNLMRSWNJPGNF-UHFFFAOYSA-N
XLogP2.94
TPSA56.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.40
LogP ≤ 52.94
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

1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine;hydroiodide
CID 111923834
1-(1-benzylpiperidin-4-yl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 110986695
1-(1-acetylpiperidin-4-yl)-3-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methylguanidine;hydroiodide
CID 119133320
1-[2-(diethylamino)-2-(furan-2-yl)ethyl]-3-[1-(3,5-dimethoxyphenyl)pyrrolidin-3-yl]-2-methylguanidine;hydroiodide
CID 111925288
1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910532
1-[2-[cyclopropyl(methyl)amino]propyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910584
2-methyl-1-(2-morpholin-4-yl-2-phenylethyl)-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111909967
2-methyl-1-[2-(4-methylpiperazin-1-yl)propyl]-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide
CID 111910518
2-methyl-1-(3-methylbutyl)-3-(1-phenylpyrrolidin-3-yl)guanidine
CID 111910773
N,N-dimethyl-2-[[N'-methyl-N-(1-phenylpyrrolidin-3-yl)carbamimidoyl]amino]acetamide
CID 119149781
1-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methyl-3-[1-(4-methylphenyl)pyrrolidin-3-yl]guanidine
CID 111924379
2-methyl-1-(1-phenylpyrrolidin-3-yl)-3-prop-2-ynylguanidine
CID 111910545

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide?
The IUPAC name of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide (CID 111908978) is 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide.
What is the SMILES notation for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide?
The canonical SMILES for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide is C/N=C(\NCC(c1ccco1)N(C)C)NC1CCN(c2ccccc2)C1.I.
What is the InChIKey of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide?
The InChIKey is GSNLMRSWNJPGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O.HI/c1-21-20(22-14-18(24(2)3)19-10-7-13-26-19)23-16-11-12-25(15-16)17-8-5-4-6-9-17;/h4-10,13,16,18H,11-12,14-15H2,1-3H3,(H2,21,22,23);1H.
What are the key properties of 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide?
1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide has a molecular weight of 483.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-2-methyl-3-(1-phenylpyrrolidin-3-yl)guanidine;hydroiodide is sourced from PubChem (CID 111908978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).