2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide

C20H37IN4O2 — CID 110060817

IUPAC2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide
SMILESCC1CCCCC1N/C(=N/CC(C)(O)CN(C)C)NCCc1ccco1.I
InChIInChI=1S/C20H36N4O2.HI/c1-16-8-5-6-10-18(16)23-19(21-12-11-17-9-7-13-26-17)22-14-20(2,25)15-24(3)4;/h7,9,13,16,18,25H,5-6,8,10-12,14-15H2,1-4H3,(H2,21,22,23);1H
InChIKeyLCJNUQWACRQUOC-UHFFFAOYSA-N
MW492.45 g/mol
LogP2.87
Rot. Bonds8

About 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide

2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide (PubChem CID 110060817) has the molecular formula C20H37IN4O2 and a molecular weight of 492.45 g/mol. Its IUPAC name is 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide
PubChem CID110060817
Molecular FormulaC20H37IN4O2
Molecular Weight492.45 g/mol
Exact Mass492.20
IUPAC Name2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide
SMILESCC1CCCCC1N/C(=N/CC(C)(O)CN(C)C)NCCc1ccco1.I
InChIInChI=1S/C20H36N4O2.HI/c1-16-8-5-6-10-18(16)23-19(21-12-11-17-9-7-13-26-17)22-14-20(2,25)15-24(3)4;/h7,9,13,16,18,25H,5-6,8,10-12,14-15H2,1-4H3,(H2,21,22,23);1H
InChIKeyLCJNUQWACRQUOC-UHFFFAOYSA-N
XLogP2.87
TPSA73.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.45
LogP ≤ 52.87
H-Bond Donors ≤ 53
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-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-ynylguanidine
CID 136921695
2-[2-(furan-2-yl)ethyl]-1-(2-methylcyclohexyl)-3-prop-2-enylguanidine;hydroiodide
CID 136922944
2-[3-(dimethylamino)-2,2-dimethylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354755
1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)-2-[[4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]methyl]guanidine;hydroiodide
CID 110053151
1-cyclohexyl-3-[2-(furan-2-yl)ethyl]-2-(furan-2-ylmethyl)guanidine;hydroiodide
CID 110938471
2-[2-(dimethylamino)-2-methylpropyl]-1-ethyl-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 111354917
1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 110991950
1-cyclopentyl-2-[[6-(dimethylamino)-2-pyridinyl]methyl]-3-[2-(furan-2-yl)ethyl]guanidine;hydroiodide
CID 110052679
1-cyclohexyl-2-(cyclopropylmethyl)-3-[2-(furan-2-yl)ethyl]guanidine
CID 111353446
1-cyclopentyl-3-[2-(furan-2-yl)ethyl]-2-(pyridin-2-ylmethyl)guanidine;hydroiodide
CID 111494009
1-(1-ethylsulfonylpiperidin-4-yl)-2-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide
CID 110054177
N,N-dimethyl-2-[[[(2-methylcyclohexyl)amino]-(2-thiophen-2-ylethylamino)methylidene]amino]acetamide;hydroiodide
CID 111841975

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide?
The IUPAC name of 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide (CID 110060817) is 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide?
The canonical SMILES for 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide is CC1CCCCC1N/C(=N/CC(C)(O)CN(C)C)NCCc1ccco1.I.
What is the InChIKey of 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide?
The InChIKey is LCJNUQWACRQUOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36N4O2.HI/c1-16-8-5-6-10-18(16)23-19(21-12-11-17-9-7-13-26-17)22-14-20(2,25)15-24(3)4;/h7,9,13,16,18,25H,5-6,8,10-12,14-15H2,1-4H3,(H2,21,22,23);1H.
What are the key properties of 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide?
2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide has a molecular weight of 492.45 g/mol, XLogP of 2.87, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)-2-hydroxy-2-methylpropyl]-1-[2-(furan-2-yl)ethyl]-3-(2-methylcyclohexyl)guanidine;hydroiodide is sourced from PubChem (CID 110060817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).