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

C13H23NO3 — CID 102648122

IUPAC3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine
SMILESCCOC1(C(N)C2=CCCCO2)CCOCC1
InChIInChI=1S/C13H23NO3/c1-2-17-13(6-9-15-10-7-13)12(14)11-5-3-4-8-16-11/h5,12H,2-4,6-10,14H2,1H3
InChIKeyAOJHWXGIROIKFF-UHFFFAOYSA-N
MW241.33 g/mol
LogP1.59
Rot. Bonds4

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

3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine (PubChem CID 102648122) has the molecular formula C13H23NO3 and a molecular weight of 241.33 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine
PubChem CID102648122
Molecular FormulaC13H23NO3
Molecular Weight241.33 g/mol
Exact Mass241.17
IUPAC Name3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine
SMILESCCOC1(C(N)C2=CCCCO2)CCOCC1
InChIInChI=1S/C13H23NO3/c1-2-17-13(6-9-15-10-7-13)12(14)11-5-3-4-8-16-11/h5,12H,2-4,6-10,14H2,1H3
InChIKeyAOJHWXGIROIKFF-UHFFFAOYSA-N
XLogP1.59
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 102648125
1-(3,4-dihydro-2H-pyran-6-yl)-1-(1-ethoxycyclopentyl)-N-methylmethanamine
CID 102648107
3,4-dihydro-2H-pyran-6-yl-(1-methylcyclopropyl)methanamine
CID 102647873
N-[2,3-dihydrofuran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 102652255
(4-ethoxyoxan-4-yl)-phenylmethanamine
CID 116765292
N-[3,4-dihydro-2H-pyran-6-yl-(4-methoxyoxan-4-yl)methyl]propan-1-amine
CID 102648121
3,4-dihydro-2H-pyran-6-yl-(4-phenyloxan-4-yl)methanamine
CID 102647412
1-(3,4-dihydro-2H-pyran-6-yl)-2,2-diethoxyethanamine
CID 102647793
N-[3,4-dihydro-2H-pyran-6-yl-(1-ethoxy-4-methylcyclohexyl)methyl]ethanamine
CID 102648132
3,4-dihydro-2H-pyran-6-yl-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 102649304
2,3-dihydrofuran-5-yl-(1-methoxycycloheptyl)methanamine
CID 102652274
1-(3,4-dihydro-2H-pyran-6-yl)-2-ethoxypentan-1-amine
CID 102648063

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine (CID 102648122) is 3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine is CCOC1(C(N)C2=CCCCO2)CCOCC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine?
The InChIKey is AOJHWXGIROIKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO3/c1-2-17-13(6-9-15-10-7-13)12(14)11-5-3-4-8-16-11/h5,12H,2-4,6-10,14H2,1H3.
What are the key properties of 3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine?
3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine has a molecular weight of 241.33 g/mol, XLogP of 1.59, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyran-6-yl-(4-ethoxyoxan-4-yl)methanamine is sourced from PubChem (CID 102648122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).