1-(2,3-dihydrofuran-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine

C12H21NO — CID 130579924

IUPAC1-(2,3-dihydrofuran-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
SMILESCNC(C1=COCC1)C1(C)CCCC1
InChIInChI=1S/C12H21NO/c1-12(6-3-4-7-12)11(13-2)10-5-8-14-9-10/h9,11,13H,3-8H2,1-2H3
InChIKeyMCBWUPGBYCTAGJ-UHFFFAOYSA-N
MW195.31 g/mol
LogP2.46
Rot. Bonds3

About 1-(2,3-dihydrofuran-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine

1-(2,3-dihydrofuran-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine (PubChem CID 130579924) has the molecular formula C12H21NO and a molecular weight of 195.31 g/mol. Its IUPAC name is 1-(2,3-dihydrofuran-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine.

Molecular Properties

Compound Name1-(2,3-dihydrofuran-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
PubChem CID130579924
Molecular FormulaC12H21NO
Molecular Weight195.31 g/mol
Exact Mass195.16
IUPAC Name1-(2,3-dihydrofuran-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine
SMILESCNC(C1=COCC1)C1(C)CCCC1
InChIInChI=1S/C12H21NO/c1-12(6-3-4-7-12)11(13-2)10-5-8-14-9-10/h9,11,13H,3-8H2,1-2H3
InChIKeyMCBWUPGBYCTAGJ-UHFFFAOYSA-N
XLogP2.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.31
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydrofuran-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The IUPAC name of 1-(2,3-dihydrofuran-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine (CID 130579924) is 1-(2,3-dihydrofuran-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine.
What is the SMILES notation for 1-(2,3-dihydrofuran-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The canonical SMILES for 1-(2,3-dihydrofuran-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine is CNC(C1=COCC1)C1(C)CCCC1.
What is the InChIKey of 1-(2,3-dihydrofuran-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
The InChIKey is MCBWUPGBYCTAGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21NO/c1-12(6-3-4-7-12)11(13-2)10-5-8-14-9-10/h9,11,13H,3-8H2,1-2H3.
What are the key properties of 1-(2,3-dihydrofuran-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine?
1-(2,3-dihydrofuran-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine has a molecular weight of 195.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydrofuran-4-yl)-N-methyl-1-(1-methylcyclopentyl)methanamine is sourced from PubChem (CID 130579924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).