(1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride

C11H20ClNO — CID 171233483

IUPAC(1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@H](N)c1cc(C)c(C)o1.Cl
InChIInChI=1S/C11H19NO.ClH/c1-5-7(2)11(12)10-6-8(3)9(4)13-10;/h6-7,11H,5,12H2,1-4H3;1H/t7?,11-;/m0./s1
InChIKeyQRODRUZWHLINRS-LFMNOWIXSA-N
MW217.74 g/mol
LogP3.36
Rot. Bonds3

About (1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride

(1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride (PubChem CID 171233483) has the molecular formula C11H20ClNO and a molecular weight of 217.74 g/mol. Its IUPAC name is (1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride
PubChem CID171233483
Molecular FormulaC11H20ClNO
Molecular Weight217.74 g/mol
Exact Mass217.12
IUPAC Name(1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@H](N)c1cc(C)c(C)o1.Cl
InChIInChI=1S/C11H19NO.ClH/c1-5-7(2)11(12)10-6-8(3)9(4)13-10;/h6-7,11H,5,12H2,1-4H3;1H/t7?,11-;/m0./s1
InChIKeyQRODRUZWHLINRS-LFMNOWIXSA-N
XLogP3.36
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.74
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride (CID 171233483) is (1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride is CCC(C)[C@H](N)c1cc(C)c(C)o1.Cl.
What is the InChIKey of (1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride?
The InChIKey is QRODRUZWHLINRS-LFMNOWIXSA-N. The full InChI is InChI=1S/C11H19NO.ClH/c1-5-7(2)11(12)10-6-8(3)9(4)13-10;/h6-7,11H,5,12H2,1-4H3;1H/t7?,11-;/m0./s1.
What are the key properties of (1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride?
(1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride has a molecular weight of 217.74 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4,5-dimethylfuran-2-yl)-2-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171233483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).