3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanamine

C13H23NO2 — CID 102648106

IUPAC3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanamine
SMILESCCOC1(C(N)C2=CCCCO2)CCCC1
InChIInChI=1S/C13H23NO2/c1-2-16-13(8-4-5-9-13)12(14)11-7-3-6-10-15-11/h7,12H,2-6,8-10,14H2,1H3
InChIKeyQFRIHPKHLKNCLJ-UHFFFAOYSA-N
MW225.33 g/mol
LogP2.36
Rot. Bonds4

About 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanamine

3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanamine (PubChem CID 102648106) has the molecular formula C13H23NO2 and a molecular weight of 225.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanamine
PubChem CID102648106
Molecular FormulaC13H23NO2
Molecular Weight225.33 g/mol
Exact Mass225.17
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanamine
SMILESCCOC1(C(N)C2=CCCCO2)CCCC1
InChIInChI=1S/C13H23NO2/c1-2-16-13(8-4-5-9-13)12(14)11-7-3-6-10-15-11/h7,12H,2-6,8-10,14H2,1H3
InChIKeyQFRIHPKHLKNCLJ-UHFFFAOYSA-N
XLogP2.36
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.33
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

cyclopentyl-(2,2-dimethyl-3H-furan-5-yl)methanamine
CID 142810465
3-Methyl-1-(2-methyloxan-2-yl)but-2-en-1-amine
CID 80684871
cyclopentyl(3,4-dihydro-2H-pyran-6-yl)methanamine
CID 102647236
3,4-dihydro-2H-pyran-6-yl-(3-methylcyclopentyl)methanamine
CID 102647601
3,4-dihydro-2H-pyran-6-yl-(3-ethylcyclopentyl)methanamine
CID 102647604
3,4-dihydro-2H-pyran-6-yl-(2-methyloxolan-2-yl)methanamine
CID 102647852
3,4-dihydro-2H-pyran-6-yl-(2-methyloxan-2-yl)methanamine
CID 102647903
1-(3,4-dihydro-2H-pyran-6-yl)-N-methyl-1-(2-methyloxan-2-yl)methanamine
CID 102647904
3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclopentyl)methanamine
CID 102648034
1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-methoxycyclopentyl)-N-methylmethanamine
CID 102648035
N-[3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclopentyl)methyl]propan-1-amine
CID 102648036
3,4-dihydro-2H-pyran-6-yl-(1-methoxycyclobutyl)methanamine
CID 102648052

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanamine (CID 102648106) is 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanamine is CCOC1(C(N)C2=CCCCO2)CCCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanamine?
The InChIKey is QFRIHPKHLKNCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO2/c1-2-16-13(8-4-5-9-13)12(14)11-7-3-6-10-15-11/h7,12H,2-6,8-10,14H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanamine?
3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanamine has a molecular weight of 225.33 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(1-ethoxycyclopentyl)methanamine is sourced from PubChem (CID 102648106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).