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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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).