2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine

C14H23NO2 — CID 62441502

IUPAC2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESC=CCOCc1cc(C)c(CNCC(C)C)o1
InChIInChI=1S/C14H23NO2/c1-5-6-16-10-13-7-12(4)14(17-13)9-15-8-11(2)3/h5,7,11,15H,1,6,8-10H2,2-4H3
InChIKeyCBFIZQJLAFDWCR-UHFFFAOYSA-N
MW237.34 g/mol
LogP3.04
Rot. Bonds8

About 2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine

2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine (PubChem CID 62441502) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
PubChem CID62441502
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
SMILESC=CCOCc1cc(C)c(CNCC(C)C)o1
InChIInChI=1S/C14H23NO2/c1-5-6-16-10-13-7-12(4)14(17-13)9-15-8-11(2)3/h5,7,11,15H,1,6,8-10H2,2-4H3
InChIKeyCBFIZQJLAFDWCR-UHFFFAOYSA-N
XLogP3.04
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 53.04
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-methyl-5-(2-methylpropoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62446258
2-methyl-N-[[3-methyl-5-(3-methylbutoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62445356
2-methyl-N-[[3-methyl-5-(2-propan-2-yloxyethoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62457691
N-[[5-(3-methoxypropoxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 55073533
2-methyl-N-[[3-methyl-5-[(2-methylphenoxy)methyl]furan-2-yl]methyl]propan-1-amine
CID 62453088
N-[[5-(cycloheptyloxymethyl)-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62459152
2-methyl-N-[[3-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine
CID 62441488
N-[[5-[(2-bromophenoxy)methyl]-3-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 63492504
2-methyl-N-[[3-methyl-5-[(5-methyl-1H-pyrazol-3-yl)oxymethyl]furan-2-yl]methyl]propan-1-amine
CID 81341208
N-[[3-methyl-5-[2-(2-methylpropoxy)ethoxymethyl]furan-2-yl]methyl]ethanamine
CID 106449758
1-[5-(but-3-enoxymethyl)-3-methylfuran-2-yl]-N-methylmethanamine
CID 62440946
N-[[3-methyl-5-(4-methylpentoxymethyl)furan-2-yl]methyl]ethanamine
CID 62456796

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine (CID 62441502) is 2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine is C=CCOCc1cc(C)c(CNCC(C)C)o1.
What is the InChIKey of 2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine?
The InChIKey is CBFIZQJLAFDWCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-5-6-16-10-13-7-12(4)14(17-13)9-15-8-11(2)3/h5,7,11,15H,1,6,8-10H2,2-4H3.
What are the key properties of 2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine?
2-methyl-N-[[3-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine has a molecular weight of 237.34 g/mol, XLogP of 3.04, 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-methyl-5-(prop-2-enoxymethyl)furan-2-yl]methyl]propan-1-amine is sourced from PubChem (CID 62441502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).