1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide

C18H33IN4O2 — CID 111605228

IUPAC1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCC(c1ccco1)N1CCCCC1)NCC(C)(C)OC.I
InChIInChI=1S/C18H32N4O2.HI/c1-18(2,23-4)14-21-17(19-3)20-13-15(16-9-8-12-24-16)22-10-6-5-7-11-22;/h8-9,12,15H,5-7,10-11,13-14H2,1-4H3,(H2,19,20,21);1H
InChIKeyWNRBCDYMDQTRSB-UHFFFAOYSA-N
MW464.39 g/mol
LogP3.01
Rot. Bonds7

About 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide

1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide (PubChem CID 111605228) has the molecular formula C18H33IN4O2 and a molecular weight of 464.39 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
PubChem CID111605228
Molecular FormulaC18H33IN4O2
Molecular Weight464.39 g/mol
Exact Mass464.16
IUPAC Name1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide
SMILESC/N=C(/NCC(c1ccco1)N1CCCCC1)NCC(C)(C)OC.I
InChIInChI=1S/C18H32N4O2.HI/c1-18(2,23-4)14-21-17(19-3)20-13-15(16-9-8-12-24-16)22-10-6-5-7-11-22;/h8-9,12,15H,5-7,10-11,13-14H2,1-4H3,(H2,19,20,21);1H
InChIKeyWNRBCDYMDQTRSB-UHFFFAOYSA-N
XLogP3.01
TPSA62.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.39
LogP ≤ 53.01
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-ethyl-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111304156
1-[2-(dimethylamino)-2-methylpropyl]-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 111008219
1-(2-methoxy-2-methylpropyl)-2-methyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)guanidine
CID 111607521
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110941436
1-(2,2-dicyclopropylethyl)-3-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111499884
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(2-methoxyethyl)-2-methylguanidine
CID 110941476
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(3-methoxypropyl)-2-methylguanidine;hydroiodide
CID 110975494
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-2-methyl-3-propan-2-ylguanidine;hydroiodide
CID 71931332
tert-butyl N-[2-[[N-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-N'-methylcarbamimidoyl]amino]ethyl]carbamate;hydroiodide
CID 111009068
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methyl-3-(3-methylbutan-2-yl)guanidine;hydroiodide
CID 111001946
1-(2-butoxyethyl)-3-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-2-methylguanidine;hydroiodide
CID 111304282
1-[2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-2-methylguanidine
CID 111008229

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide?
The IUPAC name of 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide (CID 111605228) is 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide is C/N=C(/NCC(c1ccco1)N1CCCCC1)NCC(C)(C)OC.I.
What is the InChIKey of 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide?
The InChIKey is WNRBCDYMDQTRSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N4O2.HI/c1-18(2,23-4)14-21-17(19-3)20-13-15(16-9-8-12-24-16)22-10-6-5-7-11-22;/h8-9,12,15H,5-7,10-11,13-14H2,1-4H3,(H2,19,20,21);1H.
What are the key properties of 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide?
1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide has a molecular weight of 464.39 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-(2-methoxy-2-methylpropyl)-2-methylguanidine;hydroiodide is sourced from PubChem (CID 111605228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).