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

C9H15NO — CID 130804211

IUPAC(1S)-1-(furan-3-yl)-2-methylbutan-1-amine
SMILESCCC(C)[C@H](N)c1ccoc1
InChIInChI=1S/C9H15NO/c1-3-7(2)9(10)8-4-5-11-6-8/h4-7,9H,3,10H2,1-2H3/t7?,9-/m0/s1
InChIKeyVXHIEKWPICCZIL-NETXQHHPSA-N
MW153.23 g/mol
LogP2.33
Rot. Bonds3

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

(1S)-1-(furan-3-yl)-2-methylbutan-1-amine (PubChem CID 130804211) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is (1S)-1-(furan-3-yl)-2-methylbutan-1-amine.

Molecular Properties

Compound Name(1S)-1-(furan-3-yl)-2-methylbutan-1-amine
PubChem CID130804211
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name(1S)-1-(furan-3-yl)-2-methylbutan-1-amine
SMILESCCC(C)[C@H](N)c1ccoc1
InChIInChI=1S/C9H15NO/c1-3-7(2)9(10)8-4-5-11-6-8/h4-7,9H,3,10H2,1-2H3/t7?,9-/m0/s1
InChIKeyVXHIEKWPICCZIL-NETXQHHPSA-N
XLogP2.33
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R)-1-(furan-3-yl)-2-methylbutan-1-amine
CID 130986923
(1S)-1-(furan-3-yl)-2-methylbutan-1-amine;hydrochloride
CID 171231952
(1R)-1-(furan-3-yl)-4-methylpentan-1-amine;hydrochloride
CID 171212351
(1R)-2-methyl-1-pyridin-4-ylbutan-1-amine;hydrochloride
CID 171200287
1-(furan-3-yl)-2-pyridin-4-ylpropan-1-amine
CID 66446369
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
(1R)-1-(4-bromophenyl)-2-methylbutan-1-amine
CID 131011695
1-[(1R)-1-(furan-3-yl)-2-methylbutyl]piperazine
CID 171304796

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(furan-3-yl)-2-methylbutan-1-amine?
The IUPAC name of (1S)-1-(furan-3-yl)-2-methylbutan-1-amine (CID 130804211) is (1S)-1-(furan-3-yl)-2-methylbutan-1-amine.
What is the SMILES notation for (1S)-1-(furan-3-yl)-2-methylbutan-1-amine?
The canonical SMILES for (1S)-1-(furan-3-yl)-2-methylbutan-1-amine is CCC(C)[C@H](N)c1ccoc1.
What is the InChIKey of (1S)-1-(furan-3-yl)-2-methylbutan-1-amine?
The InChIKey is VXHIEKWPICCZIL-NETXQHHPSA-N. The full InChI is InChI=1S/C9H15NO/c1-3-7(2)9(10)8-4-5-11-6-8/h4-7,9H,3,10H2,1-2H3/t7?,9-/m0/s1.
What are the key properties of (1S)-1-(furan-3-yl)-2-methylbutan-1-amine?
(1S)-1-(furan-3-yl)-2-methylbutan-1-amine has a molecular weight of 153.23 g/mol, XLogP of 2.33, 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 is sourced from PubChem (CID 130804211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).