3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine

C16H29NO2 — CID 116768695

IUPAC3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine
SMILESCCOC1(C(N)C2=COCCC2)CCC(C)(C)CC1
InChIInChI=1S/C16H29NO2/c1-4-19-16(9-7-15(2,3)8-10-16)14(17)13-6-5-11-18-12-13/h12,14H,4-11,17H2,1-3H3
InChIKeyLRTOSTLYVBYDNY-UHFFFAOYSA-N
MW267.41 g/mol
LogP3.38
Rot. Bonds4

About 3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine

3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine (PubChem CID 116768695) has the molecular formula C16H29NO2 and a molecular weight of 267.41 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine.

Molecular Properties

Compound Name3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine
PubChem CID116768695
Molecular FormulaC16H29NO2
Molecular Weight267.41 g/mol
Exact Mass267.22
IUPAC Name3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine
SMILESCCOC1(C(N)C2=COCCC2)CCC(C)(C)CC1
InChIInChI=1S/C16H29NO2/c1-4-19-16(9-7-15(2,3)8-10-16)14(17)13-6-5-11-18-12-13/h12,14H,4-11,17H2,1-3H3
InChIKeyLRTOSTLYVBYDNY-UHFFFAOYSA-N
XLogP3.38
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.41
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)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

[3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]hydrazine
CID 105277842
N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765938
N-[3,4-dihydro-2H-pyran-5-yl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766056
3,4-dihydro-2H-pyran-5-yl-[1-(2-methylpropyl)cyclopentyl]methanamine
CID 105033152
(1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
CID 104932113
(2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine
CID 116768668
(1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine
CID 116768560
2,3-dihydrofuran-4-yl-(3-methoxyoxolan-3-yl)methanamine
CID 131081537
3,4-dihydro-2H-pyran-5-yl-(1-methylcyclopentyl)methanol
CID 115831607
3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine
CID 116768623
3,4-dihydro-2H-pyran-5-yl-(3-methyl-1-adamantyl)methanamine
CID 105033580
1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 116768621

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine?
The IUPAC name of 3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine (CID 116768695) is 3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine.
What is the SMILES notation for 3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine?
The canonical SMILES for 3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine is CCOC1(C(N)C2=COCCC2)CCC(C)(C)CC1.
What is the InChIKey of 3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine?
The InChIKey is LRTOSTLYVBYDNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO2/c1-4-19-16(9-7-15(2,3)8-10-16)14(17)13-6-5-11-18-12-13/h12,14H,4-11,17H2,1-3H3.
What are the key properties of 3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine?
3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine has a molecular weight of 267.41 g/mol, XLogP of 3.38, 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-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine is sourced from PubChem (CID 116768695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).