2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine

C13H23NO — CID 105033530

IUPAC2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
SMILESCNC(CC1CCCC1)C1=COCCC1
InChIInChI=1S/C13H23NO/c1-14-13(9-11-5-2-3-6-11)12-7-4-8-15-10-12/h10-11,13-14H,2-9H2,1H3
InChIKeyHUWCCADSEWLJPR-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.85
Rot. Bonds4

About 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine

2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine (PubChem CID 105033530) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine.

Molecular Properties

Compound Name2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
PubChem CID105033530
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
SMILESCNC(CC1CCCC1)C1=COCCC1
InChIInChI=1S/C13H23NO/c1-14-13(9-11-5-2-3-6-11)12-7-4-8-15-10-12/h10-11,13-14H,2-9H2,1H3
InChIKeyHUWCCADSEWLJPR-UHFFFAOYSA-N
XLogP2.85
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-2-(thian-4-yl)ethanamine
CID 105179277
3-cyclohexyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylpropan-1-amine
CID 105033095
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyldodecan-1-amine
CID 105033323
1-(3,4-dihydro-2H-pyran-5-yl)-N,3,5,5-tetramethylhexan-1-amine
CID 105033473
[1-(3,4-dihydro-2H-pyran-5-yl)-2-methylsulfanylethyl]hydrazine
CID 105213767
1-(3,4-dihydro-2H-pyran-5-yl)-2-(3,4-dimethylphenyl)-N-methylethanamine
CID 113370560
2-(4-chlorophenoxy)-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine
CID 105179377
1-(3,4-dihydro-2H-pyran-5-yl)-N-methyl-1-[2-(trifluoromethyl)cyclohexyl]methanamine
CID 105179436
[3,4-dihydro-2H-pyran-5-yl-(4-propan-2-ylcyclohexyl)methyl]hydrazine
CID 105232413
2-cyclohexyl-N-methyl-1-(3,4,5-trifluorophenyl)ethanamine
CID 62603934
2-cyclobutyl-1-(3,4-dihydro-2H-pyran-5-yl)propan-1-ol
CID 164659731
2-cyclohexyl-1-(3,4-dihydro-2H-chromen-6-yl)-N-methylethanamine
CID 61028266

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine?
The IUPAC name of 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine (CID 105033530) is 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine.
What is the SMILES notation for 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine?
The canonical SMILES for 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine is CNC(CC1CCCC1)C1=COCCC1.
What is the InChIKey of 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine?
The InChIKey is HUWCCADSEWLJPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-14-13(9-11-5-2-3-6-11)12-7-4-8-15-10-12/h10-11,13-14H,2-9H2,1H3.
What are the key properties of 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine?
2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine has a molecular weight of 209.33 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-1-(3,4-dihydro-2H-pyran-5-yl)-N-methylethanamine is sourced from PubChem (CID 105033530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).