4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine

C13H27NO — CID 112590509

IUPAC4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
SMILESCC1CCC(N)C(CCOC(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-10-5-6-12(14)11(9-10)7-8-15-13(2,3)4/h10-12H,5-9,14H2,1-4H3
InChIKeyOQYJXZMNLVEUET-UHFFFAOYSA-N
MW213.36 g/mol
LogP2.96
Rot. Bonds3

About 4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine

4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine (PubChem CID 112590509) has the molecular formula C13H27NO and a molecular weight of 213.36 g/mol. Its IUPAC name is 4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
PubChem CID112590509
Molecular FormulaC13H27NO
Molecular Weight213.36 g/mol
Exact Mass213.21
IUPAC Name4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine
SMILESCC1CCC(N)C(CCOC(C)(C)C)C1
InChIInChI=1S/C13H27NO/c1-10-5-6-12(14)11(9-10)7-8-15-13(2,3)4/h10-12H,5-9,14H2,1-4H3
InChIKeyOQYJXZMNLVEUET-UHFFFAOYSA-N
XLogP2.96
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-Methylcyclohexyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55094197
4-Propyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61748327
4-Tert-butyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61749149
4-Ethyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61751074
4-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 61751248
4-Propan-2-yl-2-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62740229
4-Methoxy-4-methyl-1-[3-(trifluoromethyl)cyclohexyl]pentan-1-amine
CID 103031991
(1R,3S)-5-ethoxyadamantan-2-amine
CID 57928840
(2R)-1-(oxan-3-yl)pentan-2-amine
CID 58017386
(2R)-1-[(3R)-oxan-3-yl]pentan-2-amine
CID 58017427
(1S,2R,4S)-4-(methoxymethyl)-2-methylcyclohexan-1-amine
CID 58208903
(2R)-1-[(6R)-4-oxaspiro[2.5]octan-6-yl]pentan-2-amine
CID 59201556

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine?
The IUPAC name of 4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine (CID 112590509) is 4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine.
What is the SMILES notation for 4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine?
The canonical SMILES for 4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine is CC1CCC(N)C(CCOC(C)(C)C)C1.
What is the InChIKey of 4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine?
The InChIKey is OQYJXZMNLVEUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27NO/c1-10-5-6-12(14)11(9-10)7-8-15-13(2,3)4/h10-12H,5-9,14H2,1-4H3.
What are the key properties of 4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine?
4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine has a molecular weight of 213.36 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethyl]cyclohexan-1-amine is sourced from PubChem (CID 112590509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).