1-methyl-N-propyl-N-(trifluoromethyl)cyclohexan-1-amine

C11H20F3N — CID 91055465

IUPAC1-methyl-N-propyl-N-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCN(C(F)(F)F)C1(C)CCCCC1
InChIInChI=1S/C11H20F3N/c1-3-9-15(11(12,13)14)10(2)7-5-4-6-8-10/h3-9H2,1-2H3
InChIKeyAOJMVKDWERZCLA-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.94
Rot. Bonds3

About 1-methyl-N-propyl-N-(trifluoromethyl)cyclohexan-1-amine

1-methyl-N-propyl-N-(trifluoromethyl)cyclohexan-1-amine (PubChem CID 91055465) has the molecular formula C11H20F3N and a molecular weight of 223.28 g/mol. Its IUPAC name is 1-methyl-N-propyl-N-(trifluoromethyl)cyclohexan-1-amine.

Molecular Properties

Compound Name1-methyl-N-propyl-N-(trifluoromethyl)cyclohexan-1-amine
PubChem CID91055465
Molecular FormulaC11H20F3N
Molecular Weight223.28 g/mol
Exact Mass223.15
IUPAC Name1-methyl-N-propyl-N-(trifluoromethyl)cyclohexan-1-amine
SMILESCCCN(C(F)(F)F)C1(C)CCCCC1
InChIInChI=1S/C11H20F3N/c1-3-9-15(11(12,13)14)10(2)7-5-4-6-8-10/h3-9H2,1-2H3
InChIKeyAOJMVKDWERZCLA-UHFFFAOYSA-N
XLogP3.94
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-propyl-N-(trifluoromethyl)cyclohexan-1-amine?
The IUPAC name of 1-methyl-N-propyl-N-(trifluoromethyl)cyclohexan-1-amine (CID 91055465) is 1-methyl-N-propyl-N-(trifluoromethyl)cyclohexan-1-amine.
What is the SMILES notation for 1-methyl-N-propyl-N-(trifluoromethyl)cyclohexan-1-amine?
The canonical SMILES for 1-methyl-N-propyl-N-(trifluoromethyl)cyclohexan-1-amine is CCCN(C(F)(F)F)C1(C)CCCCC1.
What is the InChIKey of 1-methyl-N-propyl-N-(trifluoromethyl)cyclohexan-1-amine?
The InChIKey is AOJMVKDWERZCLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3N/c1-3-9-15(11(12,13)14)10(2)7-5-4-6-8-10/h3-9H2,1-2H3.
What are the key properties of 1-methyl-N-propyl-N-(trifluoromethyl)cyclohexan-1-amine?
1-methyl-N-propyl-N-(trifluoromethyl)cyclohexan-1-amine has a molecular weight of 223.28 g/mol, XLogP of 3.94, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-propyl-N-(trifluoromethyl)cyclohexan-1-amine is sourced from PubChem (CID 91055465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).