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

C17H31NO2 — CID 63490926

IUPACN-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCCCCCCOCc1ccoc1CNCCC
InChIInChI=1S/C17H31NO2/c1-3-5-6-7-8-9-12-19-15-16-10-13-20-17(16)14-18-11-4-2/h10,13,18H,3-9,11-12,14-15H2,1-2H3
InChIKeyURGHTLDXJGJLAP-UHFFFAOYSA-N
MW281.44 g/mol
LogP4.66
Rot. Bonds13

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

N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 63490926) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID63490926
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC NameN-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESCCCCCCCCOCc1ccoc1CNCCC
InChIInChI=1S/C17H31NO2/c1-3-5-6-7-8-9-12-19-15-16-10-13-20-17(16)14-18-11-4-2/h10,13,18H,3-9,11-12,14-15H2,1-2H3
InChIKeyURGHTLDXJGJLAP-UHFFFAOYSA-N
XLogP4.66
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 54.66
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

N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62444510
N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445527
N-[[3-(3-pyridin-4-ylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62450050
N-[[3-(hexoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62455337
N-[[3-(octoxymethyl)furan-2-yl]methyl]cyclopropanamine
CID 62457612
N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62442648
N-[[2-(heptoxymethyl)furan-3-yl]methyl]ethanamine
CID 62455259
N-[[3-[2-(1-methylpyrrolidin-2-yl)ethoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 62459353
N-[[3-[(4-chlorophenyl)methoxymethyl]furan-2-yl]methyl]propan-1-amine
CID 65125363
N-[[3-(2-propoxyethoxymethyl)furan-2-yl]methyl]ethanamine
CID 63685510
N-[[2-(pentoxymethyl)phenyl]methyl]propan-1-amine
CID 62449906
N-[[2-(hexoxymethyl)furan-3-yl]methyl]-2-methylpropan-2-amine
CID 62456817

Frequently Asked Questions

What is the IUPAC name of N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine (CID 63490926) is N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine is CCCCCCCCOCc1ccoc1CNCCC.
What is the InChIKey of N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is URGHTLDXJGJLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31NO2/c1-3-5-6-7-8-9-12-19-15-16-10-13-20-17(16)14-18-11-4-2/h10,13,18H,3-9,11-12,14-15H2,1-2H3.
What are the key properties of N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine?
N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 281.44 g/mol, XLogP of 4.66, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 63490926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).