1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine

C15H29NO2 — CID 70625745

IUPAC1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
SMILESCC(N)C1(OC2CCCCO2)CCC(C)(C)CC1
InChIInChI=1S/C15H29NO2/c1-12(16)15(9-7-14(2,3)8-10-15)18-13-6-4-5-11-17-13/h12-13H,4-11,16H2,1-3H3
InChIKeyIRRXDXRNKFHMGT-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.22
Rot. Bonds3

About 1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine

1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine (PubChem CID 70625745) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine.

Molecular Properties

Compound Name1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
PubChem CID70625745
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
SMILESCC(N)C1(OC2CCCCO2)CCC(C)(C)CC1
InChIInChI=1S/C15H29NO2/c1-12(16)15(9-7-14(2,3)8-10-15)18-13-6-4-5-11-17-13/h12-13H,4-11,16H2,1-3H3
InChIKeyIRRXDXRNKFHMGT-UHFFFAOYSA-N
XLogP3.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.40
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
CID 23339569
cyclohexyl-[1-(oxan-2-yloxy)cyclopropyl]methanol
CID 134894631
(1R)-2-[tert-butyl(diphenyl)silyl]oxy-1-[1-(oxan-2-yloxy)cyclopropyl]ethanamine
CID 169181483
2-(4-methyl-1-propan-2-ylcyclohex-3-en-1-yl)oxyoxane
CID 134856058
2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane
CID 123438419
(3S)-3-methyl-3-(oxan-2-yloxy)piperidine
CID 169225357
(1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
CID 104932113
(2R,3R,4R)-3-amino-4-[(2S)-oxan-2-yl]oxypentan-2-ol
CID 167158778
2-(3-methylpentoxy)oxane
CID 14309360
2-[(1,4-dimethylcyclohexyl)methoxy]oxane
CID 15471073
1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 116768621
methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate
CID 169100738

Frequently Asked Questions

What is the IUPAC name of 1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine?
The IUPAC name of 1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine (CID 70625745) is 1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine.
What is the SMILES notation for 1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine?
The canonical SMILES for 1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine is CC(N)C1(OC2CCCCO2)CCC(C)(C)CC1.
What is the InChIKey of 1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine?
The InChIKey is IRRXDXRNKFHMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-12(16)15(9-7-14(2,3)8-10-15)18-13-6-4-5-11-17-13/h12-13H,4-11,16H2,1-3H3.
What are the key properties of 1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine?
1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine has a molecular weight of 255.40 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine is sourced from PubChem (CID 70625745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).