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

C12H21NO — CID 62347372

IUPACN-[(5-ethylfuran-2-yl)methyl]pentan-3-amine
SMILESCCc1ccc(CNC(CC)CC)o1
InChIInChI=1S/C12H21NO/c1-4-10(5-2)13-9-12-8-7-11(6-3)14-12/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyMCDKSPVJOWLFEJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.12
Rot. Bonds6

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

N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine (PubChem CID 62347372) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[(5-ethylfuran-2-yl)methyl]pentan-3-amine
PubChem CID62347372
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[(5-ethylfuran-2-yl)methyl]pentan-3-amine
SMILESCCc1ccc(CNC(CC)CC)o1
InChIInChI=1S/C12H21NO/c1-4-10(5-2)13-9-12-8-7-11(6-3)14-12/h7-8,10,13H,4-6,9H2,1-3H3
InChIKeyMCDKSPVJOWLFEJ-UHFFFAOYSA-N
XLogP3.12
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(5-ethylfuran-2-yl)methylamino]propane-1,3-diol
CID 65312665
3-ethyl-N-[(5-ethylfuran-2-yl)methyl]pentan-2-amine
CID 63842434
2-[(5-ethylfuran-2-yl)methylamino]-4-methylpentan-1-ol
CID 62346723
(2R)-N-[(5-ethylfuran-2-yl)methyl]-4-methylpentan-2-amine
CID 59084778
2-[(5-ethylfuran-2-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 115711521
N-[(5-iodofuran-2-yl)methyl]hexan-3-amine
CID 62118557
3-[[5-(methoxymethyl)furan-2-yl]methylamino]pentan-1-ol
CID 115710985
(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
N-[(5-ethylfuran-2-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 62346695
N-[(5-methylfuran-2-yl)methyl]hex-5-yn-3-amine
CID 115654930
N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]pentan-3-amine
CID 115720213

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine?
The IUPAC name of N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine (CID 62347372) is N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine.
What is the SMILES notation for N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine?
The canonical SMILES for N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine is CCc1ccc(CNC(CC)CC)o1.
What is the InChIKey of N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine?
The InChIKey is MCDKSPVJOWLFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-4-10(5-2)13-9-12-8-7-11(6-3)14-12/h7-8,10,13H,4-6,9H2,1-3H3.
What are the key properties of N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine?
N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine has a molecular weight of 195.31 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylfuran-2-yl)methyl]pentan-3-amine is sourced from PubChem (CID 62347372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).