1-(furan-2-ylmethyl)-2-methyl-3-(2,2,4-trimethylpentyl)guanidine

C15H27N3O — CID 111911342

IUPAC1-(furan-2-ylmethyl)-2-methyl-3-(2,2,4-trimethylpentyl)guanidine
SMILESC/N=C(/NCc1ccco1)NCC(C)(C)CC(C)C
InChIInChI=1S/C15H27N3O/c1-12(2)9-15(3,4)11-18-14(16-5)17-10-13-7-6-8-19-13/h6-8,12H,9-11H2,1-5H3,(H2,16,17,18)
InChIKeyJGUGSDNQHLUKGW-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.02
Rot. Bonds6

About 1-(furan-2-ylmethyl)-2-methyl-3-(2,2,4-trimethylpentyl)guanidine

1-(furan-2-ylmethyl)-2-methyl-3-(2,2,4-trimethylpentyl)guanidine (PubChem CID 111911342) has the molecular formula C15H27N3O and a molecular weight of 265.40 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-2-methyl-3-(2,2,4-trimethylpentyl)guanidine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2-methyl-3-(2,2,4-trimethylpentyl)guanidine
PubChem CID111911342
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(furan-2-ylmethyl)-2-methyl-3-(2,2,4-trimethylpentyl)guanidine
SMILESC/N=C(/NCc1ccco1)NCC(C)(C)CC(C)C
InChIInChI=1S/C15H27N3O/c1-12(2)9-15(3,4)11-18-14(16-5)17-10-13-7-6-8-19-13/h6-8,12H,9-11H2,1-5H3,(H2,16,17,18)
InChIKeyJGUGSDNQHLUKGW-UHFFFAOYSA-N
XLogP3.02
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(furan-2-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine
CID 111173565
1-(furan-2-ylmethyl)-2-methyl-3-octan-2-ylguanidine
CID 111212393
1-(furan-2-ylmethyl)-3-[2-(2-hydroxyethoxy)ethyl]-2-methylguanidine
CID 110934675
1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948927
1-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111235087
1-(furan-2-ylmethyl)-2-methyl-3-(2-phenoxypropyl)guanidine
CID 111179316
5-(furan-2-ylmethylamino)-4,4-dimethylpentan-2-ol
CID 111467857
1-[2-(1,3-benzodioxol-5-yl)-2-methylpropyl]-3-(furan-2-ylmethyl)-2-methylguanidine;hydroiodide
CID 110934178
1-(furan-2-ylmethyl)-2-methyl-3-[[1-(2-methylpropyl)imidazol-2-yl]methyl]guanidine;hydroiodide
CID 111464885
1-(furan-2-ylmethyl)-2-methyl-3-[[3-(2-methylpropoxy)phenyl]methyl]guanidine
CID 110934615
tert-butyl 6-[[N-(furan-2-ylmethyl)-N'-methylcarbamimidoyl]amino]hexanoate;hydroiodide
CID 111465865
1-(furan-2-ylmethyl)-2-methyl-3-(2-pyrrol-1-ylethyl)guanidine;hydroiodide
CID 111975016

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2-methyl-3-(2,2,4-trimethylpentyl)guanidine?
The IUPAC name of 1-(furan-2-ylmethyl)-2-methyl-3-(2,2,4-trimethylpentyl)guanidine (CID 111911342) is 1-(furan-2-ylmethyl)-2-methyl-3-(2,2,4-trimethylpentyl)guanidine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2-methyl-3-(2,2,4-trimethylpentyl)guanidine?
The canonical SMILES for 1-(furan-2-ylmethyl)-2-methyl-3-(2,2,4-trimethylpentyl)guanidine is C/N=C(/NCc1ccco1)NCC(C)(C)CC(C)C.
What is the InChIKey of 1-(furan-2-ylmethyl)-2-methyl-3-(2,2,4-trimethylpentyl)guanidine?
The InChIKey is JGUGSDNQHLUKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12(2)9-15(3,4)11-18-14(16-5)17-10-13-7-6-8-19-13/h6-8,12H,9-11H2,1-5H3,(H2,16,17,18).
What are the key properties of 1-(furan-2-ylmethyl)-2-methyl-3-(2,2,4-trimethylpentyl)guanidine?
1-(furan-2-ylmethyl)-2-methyl-3-(2,2,4-trimethylpentyl)guanidine has a molecular weight of 265.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-2-methyl-3-(2,2,4-trimethylpentyl)guanidine is sourced from PubChem (CID 111911342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).