ethane;(4-methylfuran-2-yl)methanamine;2-methylpropane

C12H25NO — CID 143386866

IUPACethane;(4-methylfuran-2-yl)methanamine;2-methylpropane
SMILESCC.CC(C)C.Cc1coc(CN)c1
InChIInChI=1S/C6H9NO.C4H10.C2H6/c1-5-2-6(3-7)8-4-5;1-4(2)3;1-2/h2,4H,3,7H2,1H3;4H,1-3H3;1-2H3
InChIKeyHMTVILVGDPQZLH-UHFFFAOYSA-N
MW199.34 g/mol
LogP3.74
Rot. Bonds1

About ethane;(4-methylfuran-2-yl)methanamine;2-methylpropane

ethane;(4-methylfuran-2-yl)methanamine;2-methylpropane (PubChem CID 143386866) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is ethane;(4-methylfuran-2-yl)methanamine;2-methylpropane.

Molecular Properties

Compound Nameethane;(4-methylfuran-2-yl)methanamine;2-methylpropane
PubChem CID143386866
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Nameethane;(4-methylfuran-2-yl)methanamine;2-methylpropane
SMILESCC.CC(C)C.Cc1coc(CN)c1
InChIInChI=1S/C6H9NO.C4H10.C2H6/c1-5-2-6(3-7)8-4-5;1-4(2)3;1-2/h2,4H,3,7H2,1H3;4H,1-3H3;1-2H3
InChIKeyHMTVILVGDPQZLH-UHFFFAOYSA-N
XLogP3.74
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;(4-methylfuran-2-yl)methanamine;2-methylpropane?
The IUPAC name of ethane;(4-methylfuran-2-yl)methanamine;2-methylpropane (CID 143386866) is ethane;(4-methylfuran-2-yl)methanamine;2-methylpropane.
What is the SMILES notation for ethane;(4-methylfuran-2-yl)methanamine;2-methylpropane?
The canonical SMILES for ethane;(4-methylfuran-2-yl)methanamine;2-methylpropane is CC.CC(C)C.Cc1coc(CN)c1.
What is the InChIKey of ethane;(4-methylfuran-2-yl)methanamine;2-methylpropane?
The InChIKey is HMTVILVGDPQZLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9NO.C4H10.C2H6/c1-5-2-6(3-7)8-4-5;1-4(2)3;1-2/h2,4H,3,7H2,1H3;4H,1-3H3;1-2H3.
What are the key properties of ethane;(4-methylfuran-2-yl)methanamine;2-methylpropane?
ethane;(4-methylfuran-2-yl)methanamine;2-methylpropane has a molecular weight of 199.34 g/mol, XLogP of 3.74, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(4-methylfuran-2-yl)methanamine;2-methylpropane is sourced from PubChem (CID 143386866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).