2-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethanamine

C12H25NO — CID 84721149

IUPAC2-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(C)(C)OC(CN)C1CCCCC1
InChIInChI=1S/C12H25NO/c1-12(2,3)14-11(9-13)10-7-5-4-6-8-10/h10-11H,4-9,13H2,1-3H3
InChIKeyMGBCQBCGUVYNQH-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds3

About 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethanamine

2-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethanamine (PubChem CID 84721149) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethanamine.

Molecular Properties

Compound Name2-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
PubChem CID84721149
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name2-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethanamine
SMILESCC(C)(C)OC(CN)C1CCCCC1
InChIInChI=1S/C12H25NO/c1-12(2,3)14-11(9-13)10-7-5-4-6-8-10/h10-11H,4-9,13H2,1-3H3
InChIKeyMGBCQBCGUVYNQH-UHFFFAOYSA-N
XLogP2.71
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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dicyclohexylmethyl 2-[(2-methylpropan-2-yl)oxy]propanoate
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2-amino-1-cyclopentylethanethiol
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(2S)-2-cyclohexyl-3-methylbutan-1-amine
CID 96739435
[(2R)-2-cyclopentyl-2-[(2-methylpropan-2-yl)oxy]ethyl]benzene;[(1R)-1-[(2-methylpropan-2-yl)oxy]propyl]cyclopentane;bis([(1S)-1-[(2-methylpropan-2-yl)oxy]propyl]cyclopentane);sulfur dioxide
CID 167613737
1-(1-bromo-2-methylpropan-2-yl)oxyethylcyclohexane
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CID 99991186

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The IUPAC name of 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethanamine (CID 84721149) is 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethanamine.
What is the SMILES notation for 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The canonical SMILES for 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethanamine is CC(C)(C)OC(CN)C1CCCCC1.
What is the InChIKey of 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
The InChIKey is MGBCQBCGUVYNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-12(2,3)14-11(9-13)10-7-5-4-6-8-10/h10-11H,4-9,13H2,1-3H3.
What are the key properties of 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethanamine?
2-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethanamine has a molecular weight of 199.34 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-2-[(2-methylpropan-2-yl)oxy]ethanamine is sourced from PubChem (CID 84721149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).