3-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-dimethylpropan-1-amine

C12H22N2O2 — CID 62459344

IUPAC3-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-dimethylpropan-1-amine
SMILESCc1oc(CN)cc1COCCCN(C)C
InChIInChI=1S/C12H22N2O2/c1-10-11(7-12(8-13)16-10)9-15-6-4-5-14(2)3/h7H,4-6,8-9,13H2,1-3H3
InChIKeyFVPQSQGDXNDGFA-UHFFFAOYSA-N
MW226.32 g/mol
LogP1.52
Rot. Bonds7

About 3-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-dimethylpropan-1-amine

3-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-dimethylpropan-1-amine (PubChem CID 62459344) has the molecular formula C12H22N2O2 and a molecular weight of 226.32 g/mol. Its IUPAC name is 3-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-dimethylpropan-1-amine.

Molecular Properties

Compound Name3-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-dimethylpropan-1-amine
PubChem CID62459344
Molecular FormulaC12H22N2O2
Molecular Weight226.32 g/mol
Exact Mass226.17
IUPAC Name3-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-dimethylpropan-1-amine
SMILESCc1oc(CN)cc1COCCCN(C)C
InChIInChI=1S/C12H22N2O2/c1-10-11(7-12(8-13)16-10)9-15-6-4-5-14(2)3/h7H,4-6,8-9,13H2,1-3H3
InChIKeyFVPQSQGDXNDGFA-UHFFFAOYSA-N
XLogP1.52
TPSA51.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.32
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505780
2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-diethylethanamine
CID 62459505
[5-methyl-4-(pent-4-enoxymethyl)furan-2-yl]methanamine
CID 79113292
N-[[4-[3-(dimethylamino)propoxymethyl]-5-methylfuran-2-yl]methyl]-2-methylpropan-1-amine
CID 62459346
[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine
CID 62445155
3-[[5-(aminomethyl)-2-methylthiophen-3-yl]methoxy]-N,N-dimethylpropan-1-amine
CID 80728700
[5-methyl-4-(prop-2-enoxymethyl)furan-2-yl]methanamine
CID 62442483
[4-(but-2-enoxymethyl)-5-methylfuran-2-yl]methanamine
CID 76943700
[5-methyl-4-(oxan-4-ylmethoxymethyl)furan-2-yl]methanamine
CID 55075400
2-[4-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]piperazin-1-yl]-N,N-dimethylethanamine
CID 62889409
N-[2-[[4-(aminomethyl)-5-methylfuran-2-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505825
[5-[3-(2-methoxyethoxy)propoxymethyl]-2-methylfuran-3-yl]methanamine
CID 103406682

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-dimethylpropan-1-amine?
The IUPAC name of 3-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-dimethylpropan-1-amine (CID 62459344) is 3-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-dimethylpropan-1-amine.
What is the SMILES notation for 3-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-dimethylpropan-1-amine?
The canonical SMILES for 3-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-dimethylpropan-1-amine is Cc1oc(CN)cc1COCCCN(C)C.
What is the InChIKey of 3-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-dimethylpropan-1-amine?
The InChIKey is FVPQSQGDXNDGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O2/c1-10-11(7-12(8-13)16-10)9-15-6-4-5-14(2)3/h7H,4-6,8-9,13H2,1-3H3.
What are the key properties of 3-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-dimethylpropan-1-amine?
3-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-dimethylpropan-1-amine has a molecular weight of 226.32 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]-N,N-dimethylpropan-1-amine is sourced from PubChem (CID 62459344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).