N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine

C12H19NO2 — CID 62442648

IUPACN-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESC=CCOCc1ccoc1CNCCC
InChIInChI=1S/C12H19NO2/c1-3-6-13-9-12-11(5-8-15-12)10-14-7-4-2/h4-5,8,13H,2-3,6-7,9-10H2,1H3
InChIKeyVTUWFAYLGBOJAL-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.48
Rot. Bonds8

About N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine

N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 62442648) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID62442648
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC NameN-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESC=CCOCc1ccoc1CNCCC
InChIInChI=1S/C12H19NO2/c1-3-6-13-9-12-11(5-8-15-12)10-14-7-4-2/h4-5,8,13H,2-3,6-7,9-10H2,1H3
InChIKeyVTUWFAYLGBOJAL-UHFFFAOYSA-N
XLogP2.48
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62441488
N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62444510
N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 63490926
N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445527
N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 65125363
N-[[2-(but-3-enoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 62442858
N-[[2-(pent-4-enoxymethyl)furan-3-yl]methyl]propan-1-amine
CID 79113962
N-[[3-[(4-methoxyphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62459058
N-[[3-(1-ethoxypropan-2-yloxymethyl)furan-2-yl]methyl]propan-1-amine
CID 103490562
N-[[3-(diethylaminomethyl)furan-2-yl]methyl]propan-1-amine
CID 62438844
N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62450050
N-[[3-(2-propoxyethoxymethyl)furan-2-yl]methyl]ethanamine
CID 63685510

Frequently Asked Questions

What is the IUPAC name of N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine (CID 62442648) is N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine is C=CCOCc1ccoc1CNCCC.
What is the InChIKey of N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is VTUWFAYLGBOJAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-3-6-13-9-12-11(5-8-15-12)10-14-7-4-2/h4-5,8,13H,2-3,6-7,9-10H2,1H3.
What are the key properties of N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 209.29 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62442648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).