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

C15H29NO2 — CID 23339569

IUPAC2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
SMILESCC1(C)CCC(CCN)(OC2CCCCO2)CC1
InChIInChI=1S/C15H29NO2/c1-14(2)6-8-15(9-7-14,10-11-16)18-13-5-3-4-12-17-13/h13H,3-12,16H2,1-2H3
InChIKeyVGVBSQOMDOAGGB-UHFFFAOYSA-N
MW255.40 g/mol
LogP3.22
Rot. Bonds4

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

2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine (PubChem CID 23339569) has the molecular formula C15H29NO2 and a molecular weight of 255.40 g/mol. Its IUPAC name is 2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine.

Molecular Properties

Compound Name2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
PubChem CID23339569
Molecular FormulaC15H29NO2
Molecular Weight255.40 g/mol
Exact Mass255.22
IUPAC Name2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
SMILESCC1(C)CCC(CCN)(OC2CCCCO2)CC1
InChIInChI=1S/C15H29NO2/c1-14(2)6-8-15(9-7-14,10-11-16)18-13-5-3-4-12-17-13/h13H,3-12,16H2,1-2H3
InChIKeyVGVBSQOMDOAGGB-UHFFFAOYSA-N
XLogP3.22
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
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-(oxan-2-yloxy)oxan-4-yl]ethanamine
CID 23339591
2-[4-(oxan-2-yloxy)thian-4-yl]ethanamine
CID 23339573
1-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine
CID 70625745
2-[1-(methylsulfanyloxymethyl)cyclobutyl]oxyoxane
CID 146650975
2-methoxy-6-methyl-6-[6-methyl-6-(oxonan-2-yloxy)oxecan-2-yl]oxyoxecane
CID 123438419
2-[(1,4-dimethylcyclohexyl)methoxy]oxane
CID 15471073
methyl 1-(oxan-2-yloxy)cyclobutane-1-carboxylate
CID 169100738
[4,4-dimethyl-1-(oxolan-2-ylmethoxy)cyclohexyl]methanamine
CID 65050953
(3S)-3-methyl-3-(oxan-2-yloxy)piperidine
CID 169225357
(3R)-3-[(2R)-oxan-2-yl]oxybutan-1-amine
CID 98010101
12-(oxan-2-yloxy)dodecan-1-amine
CID 170028710
2-[(2-methyloxiran-2-yl)methoxy]oxane
CID 71425923

Frequently Asked Questions

What is the IUPAC name of 2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine?
The IUPAC name of 2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine (CID 23339569) is 2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine.
What is the SMILES notation for 2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine?
The canonical SMILES for 2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine is CC1(C)CCC(CCN)(OC2CCCCO2)CC1.
What is the InChIKey of 2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine?
The InChIKey is VGVBSQOMDOAGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29NO2/c1-14(2)6-8-15(9-7-14,10-11-16)18-13-5-3-4-12-17-13/h13H,3-12,16H2,1-2H3.
What are the key properties of 2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine?
2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine has a molecular weight of 255.40 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-dimethyl-1-(oxan-2-yloxy)cyclohexyl]ethanamine is sourced from PubChem (CID 23339569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).