N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine

C12H21NO — CID 115875924

IUPACN-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine
SMILESCc1cc(CNC(C)C(C)C)c(C)o1
InChIInChI=1S/C12H21NO/c1-8(2)10(4)13-7-12-6-9(3)14-11(12)5/h6,8,10,13H,7H2,1-5H3
InChIKeyYYYZVTBXPMGHBO-UHFFFAOYSA-N
MW195.31 g/mol
LogP3.03
Rot. Bonds4

About N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine

N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine (PubChem CID 115875924) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine.

Molecular Properties

Compound NameN-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine
PubChem CID115875924
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC NameN-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine
SMILESCc1cc(CNC(C)C(C)C)c(C)o1
InChIInChI=1S/C12H21NO/c1-8(2)10(4)13-7-12-6-9(3)14-11(12)5/h6,8,10,13H,7H2,1-5H3
InChIKeyYYYZVTBXPMGHBO-UHFFFAOYSA-N
XLogP3.03
TPSA25.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-2-N-[(2,5-dimethylfuran-3-yl)methyl]propane-1,2-diamine
CID 104868153
(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propan-1-ol
CID 103880707
2-[(2,5-dimethylfuran-3-yl)methylamino]propane-1,3-diol
CID 115876595
N-[(2,5-dimethylfuran-3-yl)methyl]-2,2-dimethylpentan-3-amine
CID 115876307
1-cyclopropyl-N-[(2,5-dimethylfuran-3-yl)methyl]ethanamine
CID 115677056
(2S)-2-[(2,5-dimethylfuran-3-yl)methylamino]propanamide
CID 103992303
1-(2,5-dimethylfuran-3-yl)-N-methylmethanamine
CID 43163687
N-[(2,5-dimethylfuran-3-yl)methyl]-4-methoxybutan-2-amine
CID 115688380
2-[(2,5-dimethylfuran-3-yl)methylamino]-3-methylpentan-1-ol
CID 115876546
methyl (2S,3R)-2-[(2,5-dimethylfuran-3-yl)methylamino]-3-hydroxybutanoate
CID 99779095
N-[(2,5-dimethylfuran-3-yl)methyl]hept-6-en-2-amine
CID 115908910
N-[(2,5-dimethylfuran-3-yl)methyl]-1-methoxybutan-2-amine
CID 115876526

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine?
The IUPAC name of N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine (CID 115875924) is N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine.
What is the SMILES notation for N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine?
The canonical SMILES for N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine is Cc1cc(CNC(C)C(C)C)c(C)o1.
What is the InChIKey of N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine?
The InChIKey is YYYZVTBXPMGHBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(2)10(4)13-7-12-6-9(3)14-11(12)5/h6,8,10,13H,7H2,1-5H3.
What are the key properties of N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine?
N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine has a molecular weight of 195.31 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethylfuran-3-yl)methyl]-3-methylbutan-2-amine is sourced from PubChem (CID 115875924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).