[5-(butoxymethyl)furan-3-yl]methanamine

C10H17NO2 — CID 62451528

IUPAC[5-(butoxymethyl)furan-3-yl]methanamine
SMILESCCCCOCc1cc(CN)co1
InChIInChI=1S/C10H17NO2/c1-2-3-4-12-8-10-5-9(6-11)7-13-10/h5,7H,2-4,6,8,11H2,1H3
InChIKeyRWDQKZNHDKOCMW-UHFFFAOYSA-N
MW183.25 g/mol
LogP2.06
Rot. Bonds6

About [5-(butoxymethyl)furan-3-yl]methanamine

[5-(butoxymethyl)furan-3-yl]methanamine (PubChem CID 62451528) has the molecular formula C10H17NO2 and a molecular weight of 183.25 g/mol. Its IUPAC name is [5-(butoxymethyl)furan-3-yl]methanamine.

Molecular Properties

Compound Name[5-(butoxymethyl)furan-3-yl]methanamine
PubChem CID62451528
Molecular FormulaC10H17NO2
Molecular Weight183.25 g/mol
Exact Mass183.13
IUPAC Name[5-(butoxymethyl)furan-3-yl]methanamine
SMILESCCCCOCc1cc(CN)co1
InChIInChI=1S/C10H17NO2/c1-2-3-4-12-8-10-5-9(6-11)7-13-10/h5,7H,2-4,6,8,11H2,1H3
InChIKeyRWDQKZNHDKOCMW-UHFFFAOYSA-N
XLogP2.06
TPSA48.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-(2-ethoxyethoxymethyl)furan-3-yl]methanamine
CID 62444313
[5-(3-methylbutoxymethyl)furan-3-yl]methanamine
CID 62444987
N-[2-[[4-(aminomethyl)furan-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 113325033
[5-[(4-butylphenoxy)methyl]furan-3-yl]methanamine
CID 115493308
N-[[5-(butoxymethyl)furan-3-yl]methyl]cyclopropanamine
CID 62451891
N-[[5-(pentoxymethyl)furan-3-yl]methyl]ethanamine
CID 62450269
[5-(cyclopropylmethoxymethyl)furan-3-yl]methanamine
CID 62457457
[5-[2-(4-methyl-1,3-thiazol-5-yl)ethoxymethyl]furan-3-yl]methanamine
CID 62443614
2-(butoxymethyl)-5-phenylmethoxypyran-4-one
CID 10517453
butoxymethylbenzene;phenylmethanamine
CID 142079106
5-(hexoxymethyl)furan-3-carboxylic acid
CID 62269922
N-[[4-(aminomethyl)furan-2-yl]methyl]-2-ethoxy-N-methylethanamine
CID 81067939

Frequently Asked Questions

What is the IUPAC name of [5-(butoxymethyl)furan-3-yl]methanamine?
The IUPAC name of [5-(butoxymethyl)furan-3-yl]methanamine (CID 62451528) is [5-(butoxymethyl)furan-3-yl]methanamine.
What is the SMILES notation for [5-(butoxymethyl)furan-3-yl]methanamine?
The canonical SMILES for [5-(butoxymethyl)furan-3-yl]methanamine is CCCCOCc1cc(CN)co1.
What is the InChIKey of [5-(butoxymethyl)furan-3-yl]methanamine?
The InChIKey is RWDQKZNHDKOCMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO2/c1-2-3-4-12-8-10-5-9(6-11)7-13-10/h5,7H,2-4,6,8,11H2,1H3.
What are the key properties of [5-(butoxymethyl)furan-3-yl]methanamine?
[5-(butoxymethyl)furan-3-yl]methanamine has a molecular weight of 183.25 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(butoxymethyl)furan-3-yl]methanamine is sourced from PubChem (CID 62451528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).