1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine

C17H33NO2 — CID 107136933

IUPAC1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCCOC1(C(NC)C2CCCOC2)CCC(C)(C)CC1
InChIInChI=1S/C17H33NO2/c1-5-20-17(10-8-16(2,3)9-11-17)15(18-4)14-7-6-12-19-13-14/h14-15,18H,5-13H2,1-4H3
InChIKeyLOWNSATZDFAIAK-UHFFFAOYSA-N
MW283.46 g/mol
LogP3.38
Rot. Bonds5

About 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine

1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine (PubChem CID 107136933) has the molecular formula C17H33NO2 and a molecular weight of 283.46 g/mol. Its IUPAC name is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine.

Molecular Properties

Compound Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine
PubChem CID107136933
Molecular FormulaC17H33NO2
Molecular Weight283.46 g/mol
Exact Mass283.25
IUPAC Name1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine
SMILESCCOC1(C(NC)C2CCCOC2)CCC(C)(C)CC1
InChIInChI=1S/C17H33NO2/c1-5-20-17(10-8-16(2,3)9-11-17)15(18-4)14-7-6-12-19-13-14/h14-15,18H,5-13H2,1-4H3
InChIKeyLOWNSATZDFAIAK-UHFFFAOYSA-N
XLogP3.38
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxolan-3-yl)methanamine
CID 116768763
1-cyclobutyl-1-(4-ethoxyoxan-4-yl)-N-methylmethanamine
CID 116765744
(1-ethoxycyclopentyl)-(oxan-3-yl)methanol
CID 107136224
1-(1-ethoxy-4-methylcyclohexyl)-N-methyl-1-(oxan-4-yl)methanamine
CID 116767242
N-[(1-ethoxy-4,4-dimethylcyclohexyl)-(oxan-4-yl)methyl]ethanamine
CID 116768886
(1-ethoxycyclohexyl)-(oxan-3-yl)methanamine
CID 107136911
N-methyl-1-(2-methyloxan-2-yl)-1-(oxan-3-yl)methanamine
CID 107136743
N-[cyclohexyl-(1-ethoxy-4,4-dimethylcyclohexyl)methyl]ethanamine
CID 116768830
2-cyclohexyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methylethanamine
CID 116768788
1-(1-ethoxycycloheptyl)-N-methyl-1-(4-methylcyclohexyl)methanamine
CID 116770863
N-[cyclohexyl-(4-ethoxyoxan-4-yl)methyl]ethanamine
CID 116765789
N-[cyclobutyl-(4-ethoxyoxan-4-yl)methyl]propan-1-amine
CID 116766050

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine?
The IUPAC name of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine (CID 107136933) is 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine.
What is the SMILES notation for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine?
The canonical SMILES for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine is CCOC1(C(NC)C2CCCOC2)CCC(C)(C)CC1.
What is the InChIKey of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine?
The InChIKey is LOWNSATZDFAIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H33NO2/c1-5-20-17(10-8-16(2,3)9-11-17)15(18-4)14-7-6-12-19-13-14/h14-15,18H,5-13H2,1-4H3.
What are the key properties of 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine?
1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine has a molecular weight of 283.46 g/mol, XLogP of 3.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethoxy-4,4-dimethylcyclohexyl)-N-methyl-1-(oxan-3-yl)methanamine is sourced from PubChem (CID 107136933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).