(1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine

C12H25NO — CID 104932113

IUPAC(1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
SMILESCCOC1([C@@H](C)N)CCC(C)(C)CC1
InChIInChI=1S/C12H25NO/c1-5-14-12(10(2)13)8-6-11(3,4)7-9-12/h10H,5-9,13H2,1-4H3/t10-/m1/s1
InChIKeyQRALCVRUPYEKMF-SNVBAGLBSA-N
MW199.34 g/mol
LogP2.71
Rot. Bonds3

About (1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine

(1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine (PubChem CID 104932113) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is (1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
PubChem CID104932113
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name(1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine
SMILESCCOC1([C@@H](C)N)CCC(C)(C)CC1
InChIInChI=1S/C12H25NO/c1-5-14-12(10(2)13)8-6-11(3,4)7-9-12/h10H,5-9,13H2,1-4H3/t10-/m1/s1
InChIKeyQRALCVRUPYEKMF-SNVBAGLBSA-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

3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propan-1-amine
CID 116768623
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4,4,4-trifluorobutan-1-amine
CID 116768604
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-amine
CID 114857240
[1-(1-ethoxy-4,4-dimethylcyclohexyl)-2,2-dimethylpropyl]hydrazine
CID 105277919
1-(1-ethoxy-4,4-dimethylcyclohexyl)-3-(oxolan-2-yl)propan-1-amine
CID 116768621
(2,6-difluorophenyl)-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine
CID 116768668
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxy-2-methylbutan-1-ol
CID 116755485
[3-cyclopropyl-1-(1-ethoxy-4,4-dimethylcyclohexyl)propyl]hydrazine
CID 105277902
1-(1-ethoxy-4,4-dimethylcyclohexyl)-2-methyl-N-propylpentan-1-amine
CID 107896937
(1-ethoxy-4,4-dimethylcyclohexyl)-(5-fluoro-2-methylphenyl)methanamine
CID 116768560
3,4-dihydro-2H-pyran-5-yl-(1-ethoxy-4,4-dimethylcyclohexyl)methanamine
CID 116768695
1-(1-ethoxy-4,4-dimethylcyclohexyl)-4-methoxybutan-1-ol
CID 114855143

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine?
The IUPAC name of (1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine (CID 104932113) is (1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine.
What is the SMILES notation for (1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine?
The canonical SMILES for (1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine is CCOC1([C@@H](C)N)CCC(C)(C)CC1.
What is the InChIKey of (1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine?
The InChIKey is QRALCVRUPYEKMF-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H25NO/c1-5-14-12(10(2)13)8-6-11(3,4)7-9-12/h10H,5-9,13H2,1-4H3/t10-/m1/s1.
What are the key properties of (1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine?
(1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)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 (1R)-1-(1-ethoxy-4,4-dimethylcyclohexyl)ethanamine is sourced from PubChem (CID 104932113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).