1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine

C12H22N2O — CID 63208199

IUPAC1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine
SMILESCCCCCN(C)C(CN)c1ccoc1
InChIInChI=1S/C12H22N2O/c1-3-4-5-7-14(2)12(9-13)11-6-8-15-10-11/h6,8,10,12H,3-5,7,9,13H2,1-2H3
InChIKeyKZUDCPXIYBWDLR-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.40
Rot. Bonds7

About 1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine

1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine (PubChem CID 63208199) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine.

Molecular Properties

Compound Name1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine
PubChem CID63208199
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine
SMILESCCCCCN(C)C(CN)c1ccoc1
InChIInChI=1S/C12H22N2O/c1-3-4-5-7-14(2)12(9-13)11-6-8-15-10-11/h6,8,10,12H,3-5,7,9,13H2,1-2H3
InChIKeyKZUDCPXIYBWDLR-UHFFFAOYSA-N
XLogP2.40
TPSA42.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.40
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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Frequently Asked Questions

What is the IUPAC name of 1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine?
The IUPAC name of 1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine (CID 63208199) is 1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine.
What is the SMILES notation for 1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine?
The canonical SMILES for 1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine is CCCCCN(C)C(CN)c1ccoc1.
What is the InChIKey of 1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine?
The InChIKey is KZUDCPXIYBWDLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-4-5-7-14(2)12(9-13)11-6-8-15-10-11/h6,8,10,12H,3-5,7,9,13H2,1-2H3.
What are the key properties of 1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine?
1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine has a molecular weight of 210.32 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-3-yl)-N-methyl-N-pentylethane-1,2-diamine is sourced from PubChem (CID 63208199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).