1-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine

C12H25NO — CID 82237677

IUPAC1-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine
SMILESCOCCC1(N)CC(C)CC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-10-7-11(2,3)9-12(13,8-10)5-6-14-4/h10H,5-9,13H2,1-4H3
InChIKeyMAGMFILPWZJGHE-UHFFFAOYSA-N
MW199.34 g/mol
LogP2.57
Rot. Bonds3

About 1-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine

1-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine (PubChem CID 82237677) has the molecular formula C12H25NO and a molecular weight of 199.34 g/mol. Its IUPAC name is 1-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine
PubChem CID82237677
Molecular FormulaC12H25NO
Molecular Weight199.34 g/mol
Exact Mass199.19
IUPAC Name1-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine
SMILESCOCCC1(N)CC(C)CC(C)(C)C1
InChIInChI=1S/C12H25NO/c1-10-7-11(2,3)9-12(13,8-10)5-6-14-4/h10H,5-9,13H2,1-4H3
InChIKeyMAGMFILPWZJGHE-UHFFFAOYSA-N
XLogP2.57
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 ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-methoxyethyl)-1,3-dimethylcyclobutane
CID 162359702
(2S,6R)-4-(2-methoxyethyl)-2,6-dimethyloxan-4-amine
CID 83907092
1-(aminomethyl)-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine
CID 62542038
1-(methoxymethyl)-1,3,3,5-tetramethylcyclohexane
CID 20692115
1-(aminomethyl)-N-ethyl-N-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine
CID 61448592
1-[(4-tert-butylphenyl)methyl]-3,3,5-trimethylcyclohexan-1-amine
CID 63407683
1-[(2-chloro-4-fluorophenyl)methyl]-3,3,5-trimethylcyclohexan-1-amine
CID 55188085
1-(2-methoxyethylamino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 61340491
[1-(3-methoxypropylamino)-3,3,5-trimethylcyclohexyl]methanol
CID 111757450
1,1,3-trimethylcyclobutane
CID 12656861
3,3,5-trimethyl-1-[[4-(trifluoromethyl)phenyl]methyl]cyclohexan-1-amine
CID 63407936
1,1,5-trimethyl-3-propyl-3-(3,3,5-trimethyl-1-propylcyclohexyl)oxycyclohexane
CID 57221812

Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine?
The IUPAC name of 1-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine (CID 82237677) is 1-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine.
What is the SMILES notation for 1-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine?
The canonical SMILES for 1-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine is COCCC1(N)CC(C)CC(C)(C)C1.
What is the InChIKey of 1-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine?
The InChIKey is MAGMFILPWZJGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25NO/c1-10-7-11(2,3)9-12(13,8-10)5-6-14-4/h10H,5-9,13H2,1-4H3.
What are the key properties of 1-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine?
1-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine has a molecular weight of 199.34 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyethyl)-3,3,5-trimethylcyclohexan-1-amine is sourced from PubChem (CID 82237677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).