1-(2,2-dimethylcyclopropyl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide

C16H28IN3O2 — CID 119141669

IUPAC1-(2,2-dimethylcyclopropyl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCC(C)(O)c1cc(C)oc1C)NC1CC1(C)C.I
InChIInChI=1S/C16H27N3O2.HI/c1-10-7-12(11(2)21-10)16(5,20)9-18-14(17-6)19-13-8-15(13,3)4;/h7,13,20H,8-9H2,1-6H3,(H2,17,18,19);1H
InChIKeyVISKYAHIIAGZKD-UHFFFAOYSA-N
MW421.32 g/mol
LogP2.69
Rot. Bonds4

About 1-(2,2-dimethylcyclopropyl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide

1-(2,2-dimethylcyclopropyl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide (PubChem CID 119141669) has the molecular formula C16H28IN3O2 and a molecular weight of 421.32 g/mol. Its IUPAC name is 1-(2,2-dimethylcyclopropyl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide.

Molecular Properties

Compound Name1-(2,2-dimethylcyclopropyl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide
PubChem CID119141669
Molecular FormulaC16H28IN3O2
Molecular Weight421.32 g/mol
Exact Mass421.12
IUPAC Name1-(2,2-dimethylcyclopropyl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide
SMILESC/N=C(\NCC(C)(O)c1cc(C)oc1C)NC1CC1(C)C.I
InChIInChI=1S/C16H27N3O2.HI/c1-10-7-12(11(2)21-10)16(5,20)9-18-14(17-6)19-13-8-15(13,3)4;/h7,13,20H,8-9H2,1-6H3,(H2,17,18,19);1H
InChIKeyVISKYAHIIAGZKD-UHFFFAOYSA-N
XLogP2.69
TPSA69.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.32
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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'}

Analyze 1-(2,2-dimethylcyclopropyl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-[(2-methylcyclopropyl)methyl]guanidine
CID 119141654
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-3-[(1-hydroxycyclohexyl)methyl]-2-methylguanidine;hydroiodide
CID 119152398
1-(2-bromoprop-2-enyl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide
CID 119141696
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-prop-2-ynylguanidine
CID 119141666
1-(2,2-dimethylcyclopropyl)-3-[2-(furan-2-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide
CID 119141880
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-[(1-methylpyrrolidin-2-yl)methyl]guanidine
CID 119141674
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-[(4-methylmorpholin-2-yl)methyl]guanidine;hydroiodide
CID 119141688
1-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methyl-3-[(3-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-6-yl)methyl]guanidine;hydroiodide
CID 119158180
1-(2,2-dimethylcyclopropyl)-2-methyl-3-(2-methyl-2-methylsulfanylpropyl)guanidine;hydroiodide
CID 119141186
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]acetamide
CID 111478975
N-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-1-methylcyclopentane-1-carboxamide
CID 71985031
1-(cyclopropylmethylamino)-2-(2,5-dimethylfuran-3-yl)propan-2-ol
CID 111467688

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylcyclopropyl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide?
The IUPAC name of 1-(2,2-dimethylcyclopropyl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide (CID 119141669) is 1-(2,2-dimethylcyclopropyl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide.
What is the SMILES notation for 1-(2,2-dimethylcyclopropyl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide?
The canonical SMILES for 1-(2,2-dimethylcyclopropyl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide is C/N=C(\NCC(C)(O)c1cc(C)oc1C)NC1CC1(C)C.I.
What is the InChIKey of 1-(2,2-dimethylcyclopropyl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide?
The InChIKey is VISKYAHIIAGZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2.HI/c1-10-7-12(11(2)21-10)16(5,20)9-18-14(17-6)19-13-8-15(13,3)4;/h7,13,20H,8-9H2,1-6H3,(H2,17,18,19);1H.
What are the key properties of 1-(2,2-dimethylcyclopropyl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide?
1-(2,2-dimethylcyclopropyl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide has a molecular weight of 421.32 g/mol, XLogP of 2.69, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylcyclopropyl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]-2-methylguanidine;hydroiodide is sourced from PubChem (CID 119141669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).