2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide

C15H28IN3O2 — CID 111058215

IUPAC2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
SMILESCC(C)CCCC(C)N/C(N)=N/CC(O)c1ccco1.I
InChIInChI=1S/C15H27N3O2.HI/c1-11(2)6-4-7-12(3)18-15(16)17-10-13(19)14-8-5-9-20-14;/h5,8-9,11-13,19H,4,6-7,10H2,1-3H3,(H3,16,17,18);1H
InChIKeyHBBPYSUNHDWBQH-UHFFFAOYSA-N
MW409.31 g/mol
LogP3.05
Rot. Bonds8

About 2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide

2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide (PubChem CID 111058215) has the molecular formula C15H28IN3O2 and a molecular weight of 409.31 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
PubChem CID111058215
Molecular FormulaC15H28IN3O2
Molecular Weight409.31 g/mol
Exact Mass409.12
IUPAC Name2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
SMILESCC(C)CCCC(C)N/C(N)=N/CC(O)c1ccco1.I
InChIInChI=1S/C15H27N3O2.HI/c1-11(2)6-4-7-12(3)18-15(16)17-10-13(19)14-8-5-9-20-14;/h5,8-9,11-13,19H,4,6-7,10H2,1-3H3,(H3,16,17,18);1H
InChIKeyHBBPYSUNHDWBQH-UHFFFAOYSA-N
XLogP3.05
TPSA83.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.31
LogP ≤ 53.05
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'}

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Related Compounds

2-(3-hydroxy-2-phenylpropyl)-1-(6-methylheptan-2-yl)guanidine
CID 111799938
N'-[2-(furan-2-yl)-2-hydroxyethyl]ethanimidamide;hydroiodide
CID 130666162
1-butyl-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111058198
2-[3-(furan-2-ylmethoxy)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111035557
1-(4-butan-2-ylphenyl)-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111058194
1-[1-(2,4-dichlorophenyl)ethyl]-2-[2-(furan-2-yl)-2-hydroxyethyl]guanidine
CID 111058274
2-[2-(diethylamino)-2-(furan-2-yl)ethyl]-1-(1-methoxypropan-2-yl)guanidine;hydroiodide
CID 111078422
1-(5-methylhexan-2-yl)-2-(2-methylpropyl)guanidine
CID 63925910
2-[3-(4-hydroxyphenyl)propyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111816057
2-[(4-methoxyphenyl)methyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide
CID 111024362
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-(3-methylbutyl)guanidine;hydroiodide
CID 111027417
2-[2-(furan-2-yl)-2-piperidin-1-ylethyl]-1-propan-2-ylguanidine;hydroiodide
CID 111027441

Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide?
The IUPAC name of 2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide (CID 111058215) is 2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide.
What is the SMILES notation for 2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide?
The canonical SMILES for 2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide is CC(C)CCCC(C)N/C(N)=N/CC(O)c1ccco1.I.
What is the InChIKey of 2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide?
The InChIKey is HBBPYSUNHDWBQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2.HI/c1-11(2)6-4-7-12(3)18-15(16)17-10-13(19)14-8-5-9-20-14;/h5,8-9,11-13,19H,4,6-7,10H2,1-3H3,(H3,16,17,18);1H.
What are the key properties of 2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide?
2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide has a molecular weight of 409.31 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-2-hydroxyethyl]-1-(6-methylheptan-2-yl)guanidine;hydroiodide is sourced from PubChem (CID 111058215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).