[5-[1-[5-(aminomethyl)furan-2-yl]butyl]furan-2-yl]methanamine

C14H20N2O2 — CID 10243742

IUPAC[5-[1-[5-(aminomethyl)furan-2-yl]butyl]furan-2-yl]methanamine
SMILESCCCC(c1ccc(CN)o1)c1ccc(CN)o1
InChIInChI=1S/C14H20N2O2/c1-2-3-12(13-6-4-10(8-15)17-13)14-7-5-11(9-16)18-14/h4-7,12H,2-3,8-9,15-16H2,1H3
InChIKeyGQNDUJCSGPEKEG-UHFFFAOYSA-N
MW248.33 g/mol
LogP2.72
Rot. Bonds6

About [5-[1-[5-(aminomethyl)furan-2-yl]butyl]furan-2-yl]methanamine

[5-[1-[5-(aminomethyl)furan-2-yl]butyl]furan-2-yl]methanamine (PubChem CID 10243742) has the molecular formula C14H20N2O2 and a molecular weight of 248.33 g/mol. Its IUPAC name is [5-[1-[5-(aminomethyl)furan-2-yl]butyl]furan-2-yl]methanamine.

Molecular Properties

Compound Name[5-[1-[5-(aminomethyl)furan-2-yl]butyl]furan-2-yl]methanamine
PubChem CID10243742
Molecular FormulaC14H20N2O2
Molecular Weight248.33 g/mol
Exact Mass248.15
IUPAC Name[5-[1-[5-(aminomethyl)furan-2-yl]butyl]furan-2-yl]methanamine
SMILESCCCC(c1ccc(CN)o1)c1ccc(CN)o1
InChIInChI=1S/C14H20N2O2/c1-2-3-12(13-6-4-10(8-15)17-13)14-7-5-11(9-16)18-14/h4-7,12H,2-3,8-9,15-16H2,1H3
InChIKeyGQNDUJCSGPEKEG-UHFFFAOYSA-N
XLogP2.72
TPSA78.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(aminomethyl)furan-2-yl]-N,N-diethylethanamine
CID 105450223
1-[5-(aminomethyl)furan-2-yl]-N,N-dimethylethanamine
CID 105433888
[5-[(1S)-1-aminobutyl]furan-2-yl]methanol;hydrochloride
CID 171231073
[5-(2-methylpropyl)furan-2-yl]methanamine
CID 83815402
2-fluoropropane;(5-methylfuran-2-yl)methanamine
CID 142882995
(1R)-1-(5-propylfuran-2-yl)ethanamine
CID 55276381
5-(aminomethyl)-N-hex-1-yn-3-ylfuran-2-carboxamide
CID 106230583
(1R)-1-(5-ethylfuran-2-yl)-3-fluoropropan-1-amine;hydrochloride
CID 171213556
(1R)-1-(5-ethylfuran-2-yl)pentan-1-amine;hydrochloride
CID 171213544
(1S)-1-(5-ethylfuran-2-yl)hexan-1-amine
CID 171233167
2-(5-pentan-3-ylfuran-2-yl)ethanamine
CID 83828417
[5-(propan-2-yloxymethyl)furan-2-yl]methanamine
CID 62457675

Frequently Asked Questions

What is the IUPAC name of [5-[1-[5-(aminomethyl)furan-2-yl]butyl]furan-2-yl]methanamine?
The IUPAC name of [5-[1-[5-(aminomethyl)furan-2-yl]butyl]furan-2-yl]methanamine (CID 10243742) is [5-[1-[5-(aminomethyl)furan-2-yl]butyl]furan-2-yl]methanamine.
What is the SMILES notation for [5-[1-[5-(aminomethyl)furan-2-yl]butyl]furan-2-yl]methanamine?
The canonical SMILES for [5-[1-[5-(aminomethyl)furan-2-yl]butyl]furan-2-yl]methanamine is CCCC(c1ccc(CN)o1)c1ccc(CN)o1.
What is the InChIKey of [5-[1-[5-(aminomethyl)furan-2-yl]butyl]furan-2-yl]methanamine?
The InChIKey is GQNDUJCSGPEKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O2/c1-2-3-12(13-6-4-10(8-15)17-13)14-7-5-11(9-16)18-14/h4-7,12H,2-3,8-9,15-16H2,1H3.
What are the key properties of [5-[1-[5-(aminomethyl)furan-2-yl]butyl]furan-2-yl]methanamine?
[5-[1-[5-(aminomethyl)furan-2-yl]butyl]furan-2-yl]methanamine has a molecular weight of 248.33 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[1-[5-(aminomethyl)furan-2-yl]butyl]furan-2-yl]methanamine is sourced from PubChem (CID 10243742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).