1-(furan-2-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine

C15H27N3O — CID 111173565

IUPAC1-(furan-2-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine
SMILESC/N=C(/NCc1ccco1)NC(C)CCCC(C)C
InChIInChI=1S/C15H27N3O/c1-12(2)7-5-8-13(3)18-15(16-4)17-11-14-9-6-10-19-14/h6,9-10,12-13H,5,7-8,11H2,1-4H3,(H2,16,17,18)
InChIKeyPUEUACLMNWOOKD-UHFFFAOYSA-N
MW265.40 g/mol
LogP3.16
Rot. Bonds7

About 1-(furan-2-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine

1-(furan-2-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine (PubChem CID 111173565) 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-(6-methylheptan-2-yl)guanidine.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine
PubChem CID111173565
Molecular FormulaC15H27N3O
Molecular Weight265.40 g/mol
Exact Mass265.22
IUPAC Name1-(furan-2-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine
SMILESC/N=C(/NCc1ccco1)NC(C)CCCC(C)C
InChIInChI=1S/C15H27N3O/c1-12(2)7-5-8-13(3)18-15(16-4)17-11-14-9-6-10-19-14/h6,9-10,12-13H,5,7-8,11H2,1-4H3,(H2,16,17,18)
InChIKeyPUEUACLMNWOOKD-UHFFFAOYSA-N
XLogP3.16
TPSA49.56 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 53.16
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-octan-2-ylguanidine
CID 111212393
1-[5-(diethylamino)pentan-2-yl]-3-(furan-2-ylmethyl)-2-methylguanidine
CID 110998865
1-(furan-2-ylmethyl)-3-(1-methoxypropan-2-yl)-2-methylguanidine
CID 111235087
N-(furan-2-ylmethyl)-2-[(N-heptan-2-yl-N'-methylcarbamimidoyl)amino]acetamide
CID 111195464
1-(furan-2-ylmethyl)-2-methyl-3-(1-phenylethyl)guanidine;hydroiodide
CID 110948927
1-[[3-(furan-2-yl)-1H-1,2,4-triazol-5-yl]methyl]-2-methyl-3-(6-methylheptan-2-yl)guanidine
CID 111835439
1-[2-(furan-2-yl)ethyl]-3-heptan-2-yl-2-methylguanidine;hydroiodide
CID 111194871
1-[2-(furan-2-yl)ethyl]-2-methyl-3-(4-methylpentyl)guanidine;hydroiodide
CID 111355969
N-(furan-2-ylmethyl)-2-[(N'-methyl-N-propan-2-ylcarbamimidoyl)amino]acetamide
CID 111123829
1-(furan-2-ylmethyl)-2-methyl-3-(2,2,4-trimethylpentyl)guanidine
CID 111911342
1-butan-2-yl-3-[2-(furan-2-yl)ethyl]-2-methylguanidine
CID 110945378
N-(furan-2-ylmethyl)-3-[[[N-(1-methoxypropan-2-yl)-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111236435

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine?
The IUPAC name of 1-(furan-2-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine (CID 111173565) is 1-(furan-2-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine.
What is the SMILES notation for 1-(furan-2-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine?
The canonical SMILES for 1-(furan-2-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine is C/N=C(/NCc1ccco1)NC(C)CCCC(C)C.
What is the InChIKey of 1-(furan-2-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine?
The InChIKey is PUEUACLMNWOOKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O/c1-12(2)7-5-8-13(3)18-15(16-4)17-11-14-9-6-10-19-14/h6,9-10,12-13H,5,7-8,11H2,1-4H3,(H2,16,17,18).
What are the key properties of 1-(furan-2-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine?
1-(furan-2-ylmethyl)-2-methyl-3-(6-methylheptan-2-yl)guanidine has a molecular weight of 265.40 g/mol, XLogP of 3.16, 7 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-(6-methylheptan-2-yl)guanidine is sourced from PubChem (CID 111173565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).