(2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine

C13H23NO — CID 59084778

IUPAC(2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine
SMILESCCc1ccc(CN[C@H](C)CC(C)C)o1
InChIInChI=1S/C13H23NO/c1-5-12-6-7-13(15-12)9-14-11(4)8-10(2)3/h6-7,10-11,14H,5,8-9H2,1-4H3/t11-/m1/s1
InChIKeyLHJDKUWYGULREU-LLVKDONJSA-N
MW209.33 g/mol
LogP3.37
Rot. Bonds6

About (2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine

(2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine (PubChem CID 59084778) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is (2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine.

Molecular Properties

Compound Name(2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine
PubChem CID59084778
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name(2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine
SMILESCCc1ccc(CN[C@H](C)CC(C)C)o1
InChIInChI=1S/C13H23NO/c1-5-12-6-7-13(15-12)9-14-11(4)8-10(2)3/h6-7,10-11,14H,5,8-9H2,1-4H3/t11-/m1/s1
InChIKeyLHJDKUWYGULREU-LLVKDONJSA-N
XLogP3.37
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol
CID 62346723
N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine
CID 62347372
3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine
CID 63842434
2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol
CID 65312665
N-[(5-ethylfuran-2-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 62345255
N-[(4-ethylphenyl)methyl]-4-methylpentan-2-amine
CID 21355581
N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 62346680
(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81403007
1-(5-ethylfuran-2-yl)-N,3-dimethylbutan-1-amine
CID 62346389
(1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397924
N-[(5-ethylfuran-2-yl)methyl]-1-methylcyclopropan-1-amine
CID 115697508
(1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 81372648

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine?
The IUPAC name of (2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine (CID 59084778) is (2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine.
What is the SMILES notation for (2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine?
The canonical SMILES for (2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine is CCc1ccc(CN[C@H](C)CC(C)C)o1.
What is the InChIKey of (2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine?
The InChIKey is LHJDKUWYGULREU-LLVKDONJSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-12-6-7-13(15-12)9-14-11(4)8-10(2)3/h6-7,10-11,14H,5,8-9H2,1-4H3/t11-/m1/s1.
What are the key properties of (2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine?
(2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine has a molecular weight of 209.33 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine is sourced from PubChem (CID 59084778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).