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

C14H25NO2 — CID 102648107

IUPAC1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
SMILESCCOC1(C(NC)C2=CCCCO2)CCCC1
InChIInChI=1S/C14H25NO2/c1-3-17-14(9-5-6-10-14)13(15-2)12-8-4-7-11-16-12/h8,13,15H,3-7,9-11H2,1-2H3
InChIKeyHTFJJMKENCOJFJ-UHFFFAOYSA-N
MW239.36 g/mol
LogP2.62
Rot. Bonds5

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

1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine (PubChem CID 102648107) has the molecular formula C14H25NO2 and a molecular weight of 239.36 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
PubChem CID102648107
Molecular FormulaC14H25NO2
Molecular Weight239.36 g/mol
Exact Mass239.19
IUPAC Name1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
SMILESCCOC1(C(NC)C2=CCCCO2)CCCC1
InChIInChI=1S/C14H25NO2/c1-3-17-14(9-5-6-10-14)13(15-2)12-8-4-7-11-16-12/h8,13,15H,3-7,9-11H2,1-2H3
InChIKeyHTFJJMKENCOJFJ-UHFFFAOYSA-N
XLogP2.62
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.36
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 102648125
N-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
CID 102648132
3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine
CID 102648122
N-[2,3-dihydrofuran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 102652255
[3,4-dihydro-2H-pyran-6-yl-(1-methoxycycloheptyl)methyl]hydrazine
CID 102650173
[3,4-dihydro-2H-pyran-6-yl-(1-ethylcyclopentyl)methyl]hydrazine
CID 102650304
N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 102648121
1-(1-ethoxycyclopentyl)-N-methyl-1-(4-propan-2-ylphenyl)methanamine
CID 116761869
1-(3,4-dihydro-2H-pyran-6-yl)-N-methylpropan-1-amine
CID 102647204
1-[3,4-dihydro-2H-pyran-6-yl(methylamino)methyl]-N,N,4-trimethylcyclohexan-1-amine
CID 102647752
1-[2,3-dihydrofuran-5-yl(methylamino)methyl]-N,N-dimethylcyclohexan-1-amine
CID 102651855
1-(3,5-dimethoxyphenyl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 116761840

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine?
The IUPAC name of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine (CID 102648107) is 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine.
What is the SMILES notation for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine?
The canonical SMILES for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine is CCOC1(C(NC)C2=CCCCO2)CCCC1.
What is the InChIKey of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine?
The InChIKey is HTFJJMKENCOJFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO2/c1-3-17-14(9-5-6-10-14)13(15-2)12-8-4-7-11-16-12/h8,13,15H,3-7,9-11H2,1-2H3.
What are the key properties of 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine?
1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine has a molecular weight of 239.36 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine is sourced from PubChem (CID 102648107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).