(R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine

C11H17NO — CID 130707882

IUPAC(R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine
SMILESCc1cc([C@H](N)C2CCC2)oc1C
InChIInChI=1S/C11H17NO/c1-7-6-10(13-8(7)2)11(12)9-4-3-5-9/h6,9,11H,3-5,12H2,1-2H3/t11-/m1/s1
InChIKeyYHEAGQATLRRKAT-LLVKDONJSA-N
MW179.26 g/mol
LogP2.70
Rot. Bonds2

About (R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine

(R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine (PubChem CID 130707882) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is (R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine.

Molecular Properties

Compound Name(R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine
PubChem CID130707882
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name(R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine
SMILESCc1cc([C@H](N)C2CCC2)oc1C
InChIInChI=1S/C11H17NO/c1-7-6-10(13-8(7)2)11(12)9-4-3-5-9/h6,9,11H,3-5,12H2,1-2H3/t11-/m1/s1
InChIKeyYHEAGQATLRRKAT-LLVKDONJSA-N
XLogP2.70
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(S)-(4,5-dimethylfuran-2-yl)-(oxan-4-yl)methanamine
CID 131503128
3-cyclohexyl-1-(4,5-dimethylfuran-2-yl)propan-1-amine
CID 114248905
(S)-cyclobutyl-(3,5-dimethylphenyl)methanamine
CID 130055056
(1R)-1-(4,5-dimethylfuran-2-yl)-2,2-difluoroethanamine
CID 130665704
4-[(S)-amino(cyclobutyl)methyl]-2,6-dimethylphenol;hydrochloride
CID 171224638
(2-chloro-4,5-dimethylphenyl)-cyclobutylmethanamine
CID 115483752
(R)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 130619614
cyclopentyl-(2,3,5,6-tetramethylphenyl)methanamine
CID 43110265
(S)-cyclobutyl-(2,6-dimethylphenyl)methanamine
CID 131151319
(R)-cyclobutyl-(2,4-dimethylphenyl)methanamine;hydrochloride
CID 171213154
(1R)-1-(4,5-dimethylfuran-2-yl)-2-fluoroethanamine
CID 130668303
(R)-cyclohexyl-(2,4,6-trimethylphenyl)methanamine
CID 92649968

Frequently Asked Questions

What is the IUPAC name of (R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine?
The IUPAC name of (R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine (CID 130707882) is (R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine.
What is the SMILES notation for (R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine?
The canonical SMILES for (R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine is Cc1cc([C@H](N)C2CCC2)oc1C.
What is the InChIKey of (R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine?
The InChIKey is YHEAGQATLRRKAT-LLVKDONJSA-N. The full InChI is InChI=1S/C11H17NO/c1-7-6-10(13-8(7)2)11(12)9-4-3-5-9/h6,9,11H,3-5,12H2,1-2H3/t11-/m1/s1.
What are the key properties of (R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine?
(R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine has a molecular weight of 179.26 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (R)-cyclobutyl-(4,5-dimethylfuran-2-yl)methanamine is sourced from PubChem (CID 130707882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).