N-methylmethanamine;3-(trifluoromethyl)cyclohex-3-en-1-amine

C9H17F3N2 — CID 142330113

IUPACN-methylmethanamine;3-(trifluoromethyl)cyclohex-3-en-1-amine
SMILESCNC.NC1CCC=C(C(F)(F)F)C1
InChIInChI=1S/C7H10F3N.C2H7N/c8-7(9,10)5-2-1-3-6(11)4-5;1-3-2/h2,6H,1,3-4,11H2;3H,1-2H3
InChIKeySVJVGXAHLJEDQF-UHFFFAOYSA-N
MW210.24 g/mol
LogP1.82
Rot. Bonds

About N-methylmethanamine;3-(trifluoromethyl)cyclohex-3-en-1-amine

N-methylmethanamine;3-(trifluoromethyl)cyclohex-3-en-1-amine (PubChem CID 142330113) has the molecular formula C9H17F3N2 and a molecular weight of 210.24 g/mol. Its IUPAC name is N-methylmethanamine;3-(trifluoromethyl)cyclohex-3-en-1-amine.

Molecular Properties

Compound NameN-methylmethanamine;3-(trifluoromethyl)cyclohex-3-en-1-amine
PubChem CID142330113
Molecular FormulaC9H17F3N2
Molecular Weight210.24 g/mol
Exact Mass210.13
IUPAC NameN-methylmethanamine;3-(trifluoromethyl)cyclohex-3-en-1-amine
SMILESCNC.NC1CCC=C(C(F)(F)F)C1
InChIInChI=1S/C7H10F3N.C2H7N/c8-7(9,10)5-2-1-3-6(11)4-5;1-3-2/h2,6H,1,3-4,11H2;3H,1-2H3
InChIKeySVJVGXAHLJEDQF-UHFFFAOYSA-N
XLogP1.82
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.24
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-methylmethanamine;3-(trifluoromethyl)cyclohex-3-en-1-amine?
The IUPAC name of N-methylmethanamine;3-(trifluoromethyl)cyclohex-3-en-1-amine (CID 142330113) is N-methylmethanamine;3-(trifluoromethyl)cyclohex-3-en-1-amine.
What is the SMILES notation for N-methylmethanamine;3-(trifluoromethyl)cyclohex-3-en-1-amine?
The canonical SMILES for N-methylmethanamine;3-(trifluoromethyl)cyclohex-3-en-1-amine is CNC.NC1CCC=C(C(F)(F)F)C1.
What is the InChIKey of N-methylmethanamine;3-(trifluoromethyl)cyclohex-3-en-1-amine?
The InChIKey is SVJVGXAHLJEDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N.C2H7N/c8-7(9,10)5-2-1-3-6(11)4-5;1-3-2/h2,6H,1,3-4,11H2;3H,1-2H3.
What are the key properties of N-methylmethanamine;3-(trifluoromethyl)cyclohex-3-en-1-amine?
N-methylmethanamine;3-(trifluoromethyl)cyclohex-3-en-1-amine has a molecular weight of 210.24 g/mol, XLogP of 1.82, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methylmethanamine;3-(trifluoromethyl)cyclohex-3-en-1-amine is sourced from PubChem (CID 142330113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).