1-(aminomethyl)-N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine

C11H21F3N2O — CID 64755494

IUPAC1-(aminomethyl)-N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCNC1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-17-7-6-16-10(8-15)4-2-9(3-5-10)11(12,13)14/h9,16H,2-8,15H2,1H3
InChIKeyUYCHSVZXKAUYOB-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.67
Rot. Bonds5

About 1-(aminomethyl)-N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine

1-(aminomethyl)-N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 64755494) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is 1-(aminomethyl)-N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-(aminomethyl)-N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
PubChem CID64755494
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC Name1-(aminomethyl)-N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine
SMILESCOCCNC1(CN)CCC(C(F)(F)F)CC1
InChIInChI=1S/C11H21F3N2O/c1-17-7-6-16-10(8-15)4-2-9(3-5-10)11(12,13)14/h9,16H,2-8,15H2,1H3
InChIKeyUYCHSVZXKAUYOB-UHFFFAOYSA-N
XLogP1.67
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-(aminomethyl)-N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine (CID 64755494) is 1-(aminomethyl)-N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-(aminomethyl)-N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-(aminomethyl)-N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine is COCCNC1(CN)CCC(C(F)(F)F)CC1.
What is the InChIKey of 1-(aminomethyl)-N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is UYCHSVZXKAUYOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-17-7-6-16-10(8-15)4-2-9(3-5-10)11(12,13)14/h9,16H,2-8,15H2,1H3.
What are the key properties of 1-(aminomethyl)-N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine?
1-(aminomethyl)-N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 254.30 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-N-(2-methoxyethyl)-4-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 64755494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).