(1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride

C9H16ClNO — CID 171231952

IUPAC(1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@H](N)c1ccoc1.Cl
InChIInChI=1S/C9H15NO.ClH/c1-3-7(2)9(10)8-4-5-11-6-8;/h4-7,9H,3,10H2,1-2H3;1H/t7?,9-;/m0./s1
InChIKeyAYGHHAIUTRCTIL-ABKGKFHGSA-N
MW189.69 g/mol
LogP2.75
Rot. Bonds3

About (1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride

(1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride (PubChem CID 171231952) has the molecular formula C9H16ClNO and a molecular weight of 189.69 g/mol. Its IUPAC name is (1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride
PubChem CID171231952
Molecular FormulaC9H16ClNO
Molecular Weight189.69 g/mol
Exact Mass189.09
IUPAC Name(1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride
SMILESCCC(C)[C@H](N)c1ccoc1.Cl
InChIInChI=1S/C9H15NO.ClH/c1-3-7(2)9(10)8-4-5-11-6-8;/h4-7,9H,3,10H2,1-2H3;1H/t7?,9-;/m0./s1
InChIKeyAYGHHAIUTRCTIL-ABKGKFHGSA-N
XLogP2.75
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.69
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-1-(furan-3-yl)-2-methylbutan-1-amine
CID 130804211
(1R)-1-(furan-3-yl)-2-methylbutan-1-amine
CID 130986923
(1R)-1-(furan-3-yl)-4-methylpentan-1-amine;hydrochloride
CID 171212351
(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride
CID 171200287
(1R)-1-(4-ethylphenyl)-2-methylbutan-1-amine;hydrochloride
CID 171211240
1-(furan-3-yl)-2-pyridin-4-ylpropan-1-amine
CID 66446369
(1S)-1-(3,4-dichlorophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171220910
furan-3-ylmethanediamine
CID 54545098
1-(furan-3-yl)-2-methoxyethanamine
CID 63948777
1-[1-(furan-3-yl)ethylamino]-3-methylpentan-2-ol
CID 115719585
(1R)-1-(4-fluorophenyl)-2-methylbutan-1-amine
CID 131025596
2-methyl-1-pyrimidin-5-ylbutan-1-amine
CID 63719075

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride (CID 171231952) is (1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride is CCC(C)[C@H](N)c1ccoc1.Cl.
What is the InChIKey of (1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride?
The InChIKey is AYGHHAIUTRCTIL-ABKGKFHGSA-N. The full InChI is InChI=1S/C9H15NO.ClH/c1-3-7(2)9(10)8-4-5-11-6-8;/h4-7,9H,3,10H2,1-2H3;1H/t7?,9-;/m0./s1.
What are the key properties of (1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride?
(1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride has a molecular weight of 189.69 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride is sourced from PubChem (CID 171231952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).