1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine

C14H23N3O — CID 122082759

IUPAC1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine
SMILESCc1ccoc1C/N=C(\N)NC1CCCCCC1
InChIInChI=1S/C14H23N3O/c1-11-8-9-18-13(11)10-16-14(15)17-12-6-4-2-3-5-7-12/h8-9,12H,2-7,10H2,1H3,(H3,15,16,17)
InChIKeySXRBVQWYGRIXDV-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.72
Rot. Bonds3

About 1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine

1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine (PubChem CID 122082759) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine.

Molecular Properties

Compound Name1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine
PubChem CID122082759
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine
SMILESCc1ccoc1C/N=C(\N)NC1CCCCCC1
InChIInChI=1S/C14H23N3O/c1-11-8-9-18-13(11)10-16-14(15)17-12-6-4-2-3-5-7-12/h8-9,12H,2-7,10H2,1H3,(H3,15,16,17)
InChIKeySXRBVQWYGRIXDV-UHFFFAOYSA-N
XLogP2.72
TPSA63.55 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.72
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-cyclohexyl-2-[(5-ethylthiophen-2-yl)methyl]guanidine;hydroiodide
CID 111065001
1-cyclopentyl-2-[(5-methylfuran-2-yl)methyl]guanidine
CID 62525249
1-cycloheptyl-2-[(4-methyl-2-pyridinyl)methyl]guanidine
CID 122096466
N-[3-[[amino-(cyclohexylamino)methylidene]amino]propyl]-3-methylfuran-2-carboxamide;hydroiodide
CID 111817799
1-cyclohexyl-2-[(1-methylpyrrol-2-yl)methyl]guanidine
CID 119146702
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891
2-[(4-tert-butylphenyl)methyl]-1-cyclohexylguanidine;hydrochloride
CID 14853437
1-cyclohexyl-2-[(3-methyl-1,2-oxazol-5-yl)methyl]guanidine;hydroiodide
CID 119120615
1-cyclohexyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]guanidine
CID 78931877
1-cyclohexyl-2-ethylguanidine
CID 18727697
1-cyclopropyl-2-[(2-methylphenyl)methyl]guanidine
CID 62364183
4-[[[amino-(cyclohexylamino)methylidene]amino]methyl]benzamide
CID 111030194

Frequently Asked Questions

What is the IUPAC name of 1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine?
The IUPAC name of 1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine (CID 122082759) is 1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine.
What is the SMILES notation for 1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine?
The canonical SMILES for 1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine is Cc1ccoc1C/N=C(\N)NC1CCCCCC1.
What is the InChIKey of 1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine?
The InChIKey is SXRBVQWYGRIXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11-8-9-18-13(11)10-16-14(15)17-12-6-4-2-3-5-7-12/h8-9,12H,2-7,10H2,1H3,(H3,15,16,17).
What are the key properties of 1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine?
1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine has a molecular weight of 249.36 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cycloheptyl-2-[(3-methylfuran-2-yl)methyl]guanidine is sourced from PubChem (CID 122082759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).