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

C13H21NO2 — CID 62441488

IUPAC2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESC=CCOCc1ccoc1CNCC(C)C
InChIInChI=1S/C13H21NO2/c1-4-6-15-10-12-5-7-16-13(12)9-14-8-11(2)3/h4-5,7,11,14H,1,6,8-10H2,2-3H3
InChIKeyRSVWIHJYWWQNLW-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.73
Rot. Bonds8

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

2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 62441488) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID62441488
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESC=CCOCc1ccoc1CNCC(C)C
InChIInChI=1S/C13H21NO2/c1-4-6-15-10-12-5-7-16-13(12)9-14-8-11(2)3/h4-5,7,11,14H,1,6,8-10H2,2-3H3
InChIKeyRSVWIHJYWWQNLW-UHFFFAOYSA-N
XLogP2.73
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.73
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

N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62442648
2-methyl-N-[[3-(2,2,2-trifluoroethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445604
2-methyl-N-[[3-(4-methylpentoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62456618
N-[[2-(but-2-enoxymethyl)furan-3-yl]methyl]-2-methylpropan-1-amine
CID 76943491
2-methyl-N-[[5-(prop-2-enoxymethyl)thiophen-2-yl]methyl]propan-1-amine
CID 107557958
N-[[2-(prop-2-enoxymethyl)furan-3-yl]methyl]propan-2-amine
CID 62442277
2-methyl-N-[(3-methylfuran-2-yl)methyl]propan-1-amine
CID 60985208
N-[[3-(cyclohexyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62445379
2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62441502
N-[[3-(cycloheptyloxymethyl)furan-2-yl]methyl]-2-methylpropan-1-amine
CID 62458623
N-[[3-(3-methylbutoxymethyl)furan-2-yl]methyl]ethanamine
CID 62445339
2-methyl-N-[[2-[2-(2-methylpropoxy)ethoxymethyl]furan-3-yl]methyl]propan-1-amine
CID 106449856

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine (CID 62441488) is 2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine is C=CCOCc1ccoc1CNCC(C)C.
What is the InChIKey of 2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is RSVWIHJYWWQNLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-4-6-15-10-12-5-7-16-13(12)9-14-8-11(2)3/h4-5,7,11,14H,1,6,8-10H2,2-3H3.
What are the key properties of 2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 223.32 g/mol, XLogP of 2.73, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62441488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).