(1S)-N,N-dimethyl-6-(methyliminomethyl)-3-(trifluoromethyl)cyclohex-3-en-1-amine

C11H17F3N2 — CID 134459387

IUPAC(1S)-N,N-dimethyl-6-(methyliminomethyl)-3-(trifluoromethyl)cyclohex-3-en-1-amine
SMILESC/N=C/C1CC=C(C(F)(F)F)C[C@@H]1N(C)C
InChIInChI=1S/C11H17F3N2/c1-15-7-8-4-5-9(11(12,13)14)6-10(8)16(2)3/h5,7-8,10H,4,6H2,1-3H3/b15-7+/t8?,10-/m0/s1
InChIKeyUGOIDAOGUJRDJR-IDCOZLHQSA-N
MW234.26 g/mol
LogP2.52
Rot. Bonds2

About (1S)-N,N-dimethyl-6-(methyliminomethyl)-3-(trifluoromethyl)cyclohex-3-en-1-amine

(1S)-N,N-dimethyl-6-(methyliminomethyl)-3-(trifluoromethyl)cyclohex-3-en-1-amine (PubChem CID 134459387) has the molecular formula C11H17F3N2 and a molecular weight of 234.26 g/mol. Its IUPAC name is (1S)-N,N-dimethyl-6-(methyliminomethyl)-3-(trifluoromethyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound Name(1S)-N,N-dimethyl-6-(methyliminomethyl)-3-(trifluoromethyl)cyclohex-3-en-1-amine
PubChem CID134459387
Molecular FormulaC11H17F3N2
Molecular Weight234.26 g/mol
Exact Mass234.13
IUPAC Name(1S)-N,N-dimethyl-6-(methyliminomethyl)-3-(trifluoromethyl)cyclohex-3-en-1-amine
SMILESC/N=C/C1CC=C(C(F)(F)F)C[C@@H]1N(C)C
InChIInChI=1S/C11H17F3N2/c1-15-7-8-4-5-9(11(12,13)14)6-10(8)16(2)3/h5,7-8,10H,4,6H2,1-3H3/b15-7+/t8?,10-/m0/s1
InChIKeyUGOIDAOGUJRDJR-IDCOZLHQSA-N
XLogP2.52
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1S)-N,N-dimethyl-6-(methyliminomethyl)-3-(trifluoromethyl)cyclohex-3-en-1-amine?
The IUPAC name of (1S)-N,N-dimethyl-6-(methyliminomethyl)-3-(trifluoromethyl)cyclohex-3-en-1-amine (CID 134459387) is (1S)-N,N-dimethyl-6-(methyliminomethyl)-3-(trifluoromethyl)cyclohex-3-en-1-amine.
What is the SMILES notation for (1S)-N,N-dimethyl-6-(methyliminomethyl)-3-(trifluoromethyl)cyclohex-3-en-1-amine?
The canonical SMILES for (1S)-N,N-dimethyl-6-(methyliminomethyl)-3-(trifluoromethyl)cyclohex-3-en-1-amine is C/N=C/C1CC=C(C(F)(F)F)C[C@@H]1N(C)C.
What is the InChIKey of (1S)-N,N-dimethyl-6-(methyliminomethyl)-3-(trifluoromethyl)cyclohex-3-en-1-amine?
The InChIKey is UGOIDAOGUJRDJR-IDCOZLHQSA-N. The full InChI is InChI=1S/C11H17F3N2/c1-15-7-8-4-5-9(11(12,13)14)6-10(8)16(2)3/h5,7-8,10H,4,6H2,1-3H3/b15-7+/t8?,10-/m0/s1.
What are the key properties of (1S)-N,N-dimethyl-6-(methyliminomethyl)-3-(trifluoromethyl)cyclohex-3-en-1-amine?
(1S)-N,N-dimethyl-6-(methyliminomethyl)-3-(trifluoromethyl)cyclohex-3-en-1-amine has a molecular weight of 234.26 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N,N-dimethyl-6-(methyliminomethyl)-3-(trifluoromethyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 134459387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).