(4,5-dimethylfuran-2-yl)methanamine;2-methylpropane

C11H21NO — CID 142883277

IUPAC(4,5-dimethylfuran-2-yl)methanamine;2-methylpropane
SMILESCC(C)C.Cc1cc(CN)oc1C
InChIInChI=1S/C7H11NO.C4H10/c1-5-3-7(4-8)9-6(5)2;1-4(2)3/h3H,4,8H2,1-2H3;4H,1-3H3
InChIKeyGWCWPSKFBJNKGC-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.02
Rot. Bonds1

About (4,5-dimethylfuran-2-yl)methanamine;2-methylpropane

(4,5-dimethylfuran-2-yl)methanamine;2-methylpropane (PubChem CID 142883277) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is (4,5-dimethylfuran-2-yl)methanamine;2-methylpropane.

Molecular Properties

Compound Name(4,5-dimethylfuran-2-yl)methanamine;2-methylpropane
PubChem CID142883277
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name(4,5-dimethylfuran-2-yl)methanamine;2-methylpropane
SMILESCC(C)C.Cc1cc(CN)oc1C
InChIInChI=1S/C7H11NO.C4H10/c1-5-3-7(4-8)9-6(5)2;1-4(2)3/h3H,4,8H2,1-2H3;4H,1-3H3
InChIKeyGWCWPSKFBJNKGC-UHFFFAOYSA-N
XLogP3.02
TPSA39.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,5-dimethylfuran-2-yl)methanamine;ethane
CID 142883143
[5-(aminomethyl)-2-methylfuran-3-yl]methanol
CID 82502468
2-amino-3-(4,5-dimethylfuran-2-yl)propan-1-ol;hydrochloride
CID 170892169
(2S)-N-[(4,5-dimethylfuran-2-yl)methyl]butan-2-amine
CID 142079023
[5-methyl-4-(3-methylbutoxymethyl)furan-2-yl]methanamine
CID 62445155
N-[[5-(aminomethyl)-2-methylfuran-3-yl]methyl]-N-methylpentan-2-amine
CID 62434374
(1R)-1-(4,5-dimethylfuran-2-yl)propane-1,3-diamine
CID 130856720
2-(4,5-dimethylfuran-2-yl)acetic acid
CID 21260728
ethane;(4-methylfuran-2-yl)methanamine;2-methylpropane
CID 143386866
(1R)-1-(4,5-dimethylfuran-2-yl)ethanamine;hydrochloride
CID 171213830
N-[2-[[5-(aminomethyl)-2-methylfuran-3-yl]methoxy]ethyl]-N-propan-2-ylpropan-2-amine
CID 115505780
5-(aminomethyl)-2-methyl-N-(3-methylbutyl)furan-3-sulfonamide
CID 106059070

Frequently Asked Questions

What is the IUPAC name of (4,5-dimethylfuran-2-yl)methanamine;2-methylpropane?
The IUPAC name of (4,5-dimethylfuran-2-yl)methanamine;2-methylpropane (CID 142883277) is (4,5-dimethylfuran-2-yl)methanamine;2-methylpropane.
What is the SMILES notation for (4,5-dimethylfuran-2-yl)methanamine;2-methylpropane?
The canonical SMILES for (4,5-dimethylfuran-2-yl)methanamine;2-methylpropane is CC(C)C.Cc1cc(CN)oc1C.
What is the InChIKey of (4,5-dimethylfuran-2-yl)methanamine;2-methylpropane?
The InChIKey is GWCWPSKFBJNKGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO.C4H10/c1-5-3-7(4-8)9-6(5)2;1-4(2)3/h3H,4,8H2,1-2H3;4H,1-3H3.
What are the key properties of (4,5-dimethylfuran-2-yl)methanamine;2-methylpropane?
(4,5-dimethylfuran-2-yl)methanamine;2-methylpropane has a molecular weight of 183.29 g/mol, XLogP of 3.02, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dimethylfuran-2-yl)methanamine;2-methylpropane is sourced from PubChem (CID 142883277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).