N'-[4-(furan-2-yl)butan-2-yl]benzenecarboximidamide

C15H18N2O — CID 55158629

IUPACN'-[4-(furan-2-yl)butan-2-yl]benzenecarboximidamide
SMILESCC(CCc1ccco1)/N=C(\N)c1ccccc1
InChIInChI=1S/C15H18N2O/c1-12(9-10-14-8-5-11-18-14)17-15(16)13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H2,16,17)
InChIKeyZJYCNPRFBCTDEC-UHFFFAOYSA-N
MW242.32 g/mol
LogP3.01
Rot. Bonds5

About N'-[4-(furan-2-yl)butan-2-yl]benzenecarboximidamide

N'-[4-(furan-2-yl)butan-2-yl]benzenecarboximidamide (PubChem CID 55158629) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is N'-[4-(furan-2-yl)butan-2-yl]benzenecarboximidamide.

Molecular Properties

Compound NameN'-[4-(furan-2-yl)butan-2-yl]benzenecarboximidamide
PubChem CID55158629
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC NameN'-[4-(furan-2-yl)butan-2-yl]benzenecarboximidamide
SMILESCC(CCc1ccco1)/N=C(\N)c1ccccc1
InChIInChI=1S/C15H18N2O/c1-12(9-10-14-8-5-11-18-14)17-15(16)13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H2,16,17)
InChIKeyZJYCNPRFBCTDEC-UHFFFAOYSA-N
XLogP3.01
TPSA51.52 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 53.01
H-Bond Donors ≤ 51
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-amino-2-[4-(furan-2-yl)butan-2-yl]guanidine
CID 64872844
N'-[4-(furan-2-yl)butan-2-yl]butanimidamide
CID 63177351
N'-butan-2-ylbenzenecarboximidamide
CID 63174298
(3R)-1-(furan-2-yl)-4-methylpentan-3-amine
CID 94915074
2-[4-(furan-2-yl)butan-2-ylamino]-N'-hydroxypropanimidamide
CID 77030711
2-[[4-(furan-2-yl)butan-2-ylamino]methyl]-N'-hydroxybenzenecarboximidamide
CID 77032802
1-(furan-2-yl)-6-methylheptan-3-ol
CID 105085501
4-(furan-2-yl)-N-(1-phenylethyl)butan-2-amine
CID 43182410
2-(4-phenylbutan-2-yl)guanidine
CID 14088265
2-(3-methylhexyl)furan
CID 12840321
N-[4-(furan-2-yl)butan-2-yl]-2-methyl-1-phenylpropan-1-amine
CID 43685449
(2R)-4-(furan-2-yl)-2-hydroxybutanoic acid
CID 141032870

Frequently Asked Questions

What is the IUPAC name of N'-[4-(furan-2-yl)butan-2-yl]benzenecarboximidamide?
The IUPAC name of N'-[4-(furan-2-yl)butan-2-yl]benzenecarboximidamide (CID 55158629) is N'-[4-(furan-2-yl)butan-2-yl]benzenecarboximidamide.
What is the SMILES notation for N'-[4-(furan-2-yl)butan-2-yl]benzenecarboximidamide?
The canonical SMILES for N'-[4-(furan-2-yl)butan-2-yl]benzenecarboximidamide is CC(CCc1ccco1)/N=C(\N)c1ccccc1.
What is the InChIKey of N'-[4-(furan-2-yl)butan-2-yl]benzenecarboximidamide?
The InChIKey is ZJYCNPRFBCTDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c1-12(9-10-14-8-5-11-18-14)17-15(16)13-6-3-2-4-7-13/h2-8,11-12H,9-10H2,1H3,(H2,16,17).
What are the key properties of N'-[4-(furan-2-yl)butan-2-yl]benzenecarboximidamide?
N'-[4-(furan-2-yl)butan-2-yl]benzenecarboximidamide has a molecular weight of 242.32 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-(furan-2-yl)butan-2-yl]benzenecarboximidamide is sourced from PubChem (CID 55158629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).