2-methyl-N-[(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine

C12H21NO — CID 65152932

IUPAC2-methyl-N-[(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
SMILESCc1oc(C)c(CNCC(C)C)c1C
InChIInChI=1S/C12H21NO/c1-8(2)6-13-7-12-9(3)10(4)14-11(12)5/h8,13H,6-7H2,1-5H3
InChIKeyPERHLUIWXBUVSE-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.95
Rot. Bonds4

About 2-methyl-N-[(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine

2-methyl-N-[(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine (PubChem CID 65152932) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 2-methyl-N-[(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
PubChem CID65152932
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name2-methyl-N-[(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine
SMILESCc1oc(C)c(CNCC(C)C)c1C
InChIInChI=1S/C12H21NO/c1-8(2)6-13-7-12-9(3)10(4)14-11(12)5/h8,13H,6-7H2,1-5H3
InChIKeyPERHLUIWXBUVSE-UHFFFAOYSA-N
XLogP2.95
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 ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine (CID 65152932) is 2-methyl-N-[(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine is Cc1oc(C)c(CNCC(C)C)c1C.
What is the InChIKey of 2-methyl-N-[(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine?
The InChIKey is PERHLUIWXBUVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-8(2)6-13-7-12-9(3)10(4)14-11(12)5/h8,13H,6-7H2,1-5H3.
What are the key properties of 2-methyl-N-[(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine?
2-methyl-N-[(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine has a molecular weight of 195.31 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2,4,5-trimethylfuran-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 65152932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).