N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine

C13H23NO2 — CID 62445339

IUPACN-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1COCCC(C)C
InChIInChI=1S/C13H23NO2/c1-4-14-9-13-12(6-8-16-13)10-15-7-5-11(2)3/h6,8,11,14H,4-5,7,9-10H2,1-3H3
InChIKeyXONCNLNZUFJDHS-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.95
Rot. Bonds8

About N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine

N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine (PubChem CID 62445339) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine
PubChem CID62445339
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC NameN-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine
SMILESCCNCc1occc1COCCC(C)C
InChIInChI=1S/C13H23NO2/c1-4-14-9-13-12(6-8-16-13)10-15-7-5-11(2)3/h6,8,11,14H,4-5,7,9-10H2,1-3H3
InChIKeyXONCNLNZUFJDHS-UHFFFAOYSA-N
XLogP2.95
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.95
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-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445527
N-[[3-(2-propoxyethoxymethyl)furan-2-yl]methyl]ethanamine
CID 63685510
2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62456618
N-methyl-1-[3-(4-methylpentoxymethyl)furan-2-yl]methanamine
CID 62456984
N-[[3-(2-methylpropyl)furan-2-yl]methyl]ethanamine
CID 106887200
N-[[3-(pentan-2-yloxymethyl)furan-2-yl]methyl]ethanamine
CID 102987125
N-[[5-(3-methylbutoxymethyl)thiophen-2-yl]methyl]ethanamine
CID 107558092
N-methyl-1-[3-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methanamine
CID 106449861
N-[[3-(2-ethoxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62444510
2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62441488
N-[[3-(3-methylbutoxymethyl)phenyl]methyl]ethanamine
CID 62445525
N-[[3-(octoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 63490926

Frequently Asked Questions

What is the IUPAC name of N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine?
The IUPAC name of N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine (CID 62445339) is N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine is CCNCc1occc1COCCC(C)C.
What is the InChIKey of N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine?
The InChIKey is XONCNLNZUFJDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-4-14-9-13-12(6-8-16-13)10-15-7-5-11(2)3/h6,8,11,14H,4-5,7,9-10H2,1-3H3.
What are the key properties of N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine?
N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine has a molecular weight of 225.33 g/mol, XLogP of 2.95, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine is sourced from PubChem (CID 62445339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).