3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine

C14H25NO — CID 63842434

IUPAC3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine
SMILESCCc1ccc(CNC(C)C(CC)CC)o1
InChIInChI=1S/C14H25NO/c1-5-12(6-2)11(4)15-10-14-9-8-13(7-3)16-14/h8-9,11-12,15H,5-7,10H2,1-4H3
InChIKeyIGBLUIZOCMGXHO-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.76
Rot. Bonds7

About 3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine

3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine (PubChem CID 63842434) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine.

Molecular Properties

Compound Name3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine
PubChem CID63842434
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine
SMILESCCc1ccc(CNC(C)C(CC)CC)o1
InChIInChI=1S/C14H25NO/c1-5-12(6-2)11(4)15-10-14-9-8-13(7-3)16-14/h8-9,11-12,15H,5-7,10H2,1-4H3
InChIKeyIGBLUIZOCMGXHO-UHFFFAOYSA-N
XLogP3.76
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(5-chlorofuran-2-yl)methyl]-3-ethylpentan-2-amine
CID 63842241
N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine
CID 62347372
(2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine
CID 59084778
2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol
CID 65312665
N-[[5-(methoxymethyl)furan-2-yl]methyl]-3-methylpentan-2-amine
CID 115710576
2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol
CID 62346723
(1S)-N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 81403007
N-[(5-ethylfuran-2-yl)methyl]-1-(furan-2-yl)ethanamine
CID 62346680
2-[(5-ethylfuran-2-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115711521
(1R)-N-[(5-ethylfuran-2-yl)methyl]-1-(2-methoxyphenyl)ethanamine
CID 81397924
3-[[5-(hydroxymethyl)furan-2-yl]methylamino]-2-methylbutan-1-ol
CID 111467126
(1R)-1-(3-bromophenyl)-N-[(5-ethylfuran-2-yl)methyl]ethanamine
CID 81372648

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine?
The IUPAC name of 3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine (CID 63842434) is 3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine.
What is the SMILES notation for 3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine?
The canonical SMILES for 3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine is CCc1ccc(CNC(C)C(CC)CC)o1.
What is the InChIKey of 3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine?
The InChIKey is IGBLUIZOCMGXHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-5-12(6-2)11(4)15-10-14-9-8-13(7-3)16-14/h8-9,11-12,15H,5-7,10H2,1-4H3.
What are the key properties of 3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine?
3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine has a molecular weight of 223.36 g/mol, XLogP of 3.76, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine is sourced from PubChem (CID 63842434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).